UCSF

DrugBank-experimental

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (436 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 62 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169 Z80169 CHEMBL614039 Huh-7 (Hepatocellular carcinoma) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_HUMAN Q03181 CHEMBL3979 Peroxisome proliferator-activated receptor delta 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472 Z50472 CHEMBL612888 Toxoplasma gondii 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPBAR_HUMAN Q8TDU6 CHEMBL5409 G-protein coupled bile acid receptor 1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102213 Z102213 CHEMBL613416 Blood 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80877 Z80877 CHEMBL612255 NCI-H1299 (Non-small cell lung carcinoma) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80957 Z80957 CHEMBL614734 HMEC (Microvascular endothelial cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_RAT P19490 CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90B_HUMAN P08238 CHEMBL4303 Heat shock protein HSP 90-beta 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80152 Z80152 CHEMBL613510 HCT-8 (Ileocecal adenocarcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852 Z80852 CHEMBL614069 A-431 (Epidermoid carcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_HUMAN Q13255 CHEMBL3772 Metabotropic glutamate receptor 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90A_HUMAN P07900 CHEMBL3880 Heat shock protein HSP 90-alpha 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell leukemia) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532 Z80532 CHEMBL614774 T-24 (Bladder carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81186 Z81186 CHEMBL614097 LS174T (Colon adencocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT1_HUMAN P31749 CHEMBL4282 Serine/threonine-protein kinase AKT 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_HUMAN P11362 CHEMBL3650 Fibroblast growth factor receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_HUMAN P42261 CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_HUMAN P42262 CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_RAT P23385 CHEMBL4477 Metabotropic glutamate receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone deacetylase 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone deacetylase 3 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC4_HUMAN P56524 CHEMBL3524 Histone deacetylase 4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC5_HUMAN Q9UQL6 CHEMBL2563 Histone deacetylase 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC7_HUMAN Q8WUI4 CHEMBL2716 Histone deacetylase 7 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC8_HUMAN Q9BY41 CHEMBL3192 Histone deacetylase 8 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC9_HUMAN Q9UKV0 CHEMBL4145 Histone deacetylase 9 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LASR_PSEAE P25084 CHEMBL1075207 Transcriptional activator protein lasR 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK08_HUMAN P45983 CHEMBL2276 c-Jun N-terminal kinase 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_MOUSE P37238 CHEMBL2459 Peroxisome proliferator-activated receptor gamma 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102240 Z102240 CHEMBL613438 Cartilage 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50339 Z50339 CHEMBL613064 Pneumocystis carinii 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80525 Z80525 CHEMBL614055 SW48 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80566 Z80566 CHEMBL612794 U-937 (Histiocytic lymphoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80800 Z80800 CHEMBL614725 MIA PaCa-2 (Pancreatic carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951 Z80951 CHEMBL614822 NIH3T3 (Fibroblasts) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADK_HUMAN P55263 CHEMBL3589 Adenosine kinase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT2_HUMAN P31751 CHEMBL2431 Serine/threonine-protein kinase AKT2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT3_HUMAN Q9Y243 CHEMBL4816 Serine/threonine-protein kinase AKT3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_MOUSE P19091 CHEMBL3056 Androgen Receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK1_HUMAN O14757 CHEMBL4630 Serine/threonine-protein kinase Chk1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR2_HUMAN P21802 CHEMBL4142 Fibroblast growth factor receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR3_HUMAN P22607 CHEMBL2742 Fibroblast growth factor receptor 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA_HUMAN P49354 CHEMBL271 Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB_HUMAN P49356 CHEMBL272 Protein farnesyltransferase beta subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK3_RAT P42264 CHEMBL3744 Glutamate receptor ionotropic kainate 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_HUMAN Q14416 CHEMBL5137 Metabotropic glutamate receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA10_HUMAN Q969S8 CHEMBL5103 Histone deacetylase 10 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA11_HUMAN Q96DB2 CHEMBL3310 Histone deacetylase 11 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC6_HUMAN Q9UBN7 CHEMBL1865 Histone deacetylase 6 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11_HUMAN P52732 CHEMBL4581 Kinesin-like protein 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK09_HUMAN P45984 CHEMBL4179 c-Jun N-terminal kinase 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NEP_RAT P07861 CHEMBL3369 Neprilysin 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_MOUSE P23204 CHEMBL2128 Peroxisome proliferator-activated receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_MOUSE P35396 CHEMBL2458 Peroxisome proliferator-activated receptor delta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8JXU8_9HEPC Q8JXU8 CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9RMS5_PSEAI Q9RMS5 CHEMBL1075213 PhzR 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TLR2_HUMAN O60603 CHEMBL4163 Toll-like receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100405 Z100405 CHEMBL613835 MV4-11 (Myeloid leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306 Z102306 CHEMBL613606 Aorta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50136 Z50136 CHEMBL612608 Plasmodium falciparum (isolate FcB1 / Columbia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50362 Z50362 CHEMBL613075 Lactobacillus casei 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036 Z80036 CHEMBL614524 BaF3 (IL-3-dependent pro-B-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80099 Z80099 CHEMBL614561 COLO 205 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80133 Z80133 CHEMBL614294 EMT6 (Mammary carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80140 Z80140 CHEMBL614570 GBM 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466 Z80466 CHEMBL614907 SF268 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80565 Z80565 CHEMBL614247 U-87 MG (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81054 Z81054 CHEMBL613977 SF-268 (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81068 Z81068 CHEMBL614649 Ishikawa (Uterine carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81199 Z81199 CHEMBL612440 NCI-H446 (Small cell lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81225 Z81225 CHEMBL614073 M109 (Lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_CAVPO P46616 CHEMBL2605 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY1_HUMAN Q08828 CHEMBL2899 Brain adenylate cyclase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2_RAT P26769 CHEMBL2958 Adenylate cyclase type II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AHR_HUMAN P35869 CHEMBL3201 Aryl hydrocarbon receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPP4_HUMAN P27487 CHEMBL284 Dipeptidyl peptidase IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_PLAFK P13922 CHEMBL1939 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR1_HUMAN P11474 CHEMBL3429 Estrogen-related receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTA_BOVIN P29702 CHEMBL2377 Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FNTB_BOVIN P49355 CHEMBL4671 Protein farnesyltransferase beta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABR1_HUMAN Q9UBS5 CHEMBL2064 GABA-B receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_HUMAN P48169 CHEMBL2472 GABA receptor alpha-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6_HUMAN Q16445 CHEMBL2579 GABA receptor alpha-6 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR1_HUMAN P24046 CHEMBL3561 GABA receptor rho-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR2_HUMAN P28476 CHEMBL2375 GABA receptor rho-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR3_HUMAN A8MPY1 CHEMBL2394 GABA receptor rho-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPBAR_MOUSE Q80SS6 CHEMBL1255150 G-protein coupled bile acid receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_MOUSE P23818 CHEMBL3502 Glutamate receptor ionotropic, AMPA 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_HUMAN P42263 CHEMBL3595 Glutamate receptor ionotropic, AMPA 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK1_RAT P22756 CHEMBL2919 Glutamate receptor ionotropic kainate 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_RAT P31421 CHEMBL2851 Metabotropic glutamate receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3_HUMAN Q14832 CHEMBL2888 Metabotropic glutamate receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3_RAT P31422 CHEMBL3067 Metabotropic glutamate receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4_RAT P31423 CHEMBL2787 Metabotropic glutamate receptor 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_RAT P35349 CHEMBL3842 Metabotropic glutamate receptor 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8_HUMAN O00222 CHEMBL3228 Metabotropic glutamate receptor 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
IL2RA_MOUSE P01590 CHEMBL3287 Interleukin-2 receptor alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK1_MOUSE P52332 CHEMBL2968 Tyrosine-protein kinase JAK1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_MOUSE Q62137 CHEMBL5250 Tyrosine-protein kinase JAK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNN1_RAT P70606 CHEMBL3743 Small conductance calcium-activated potassium channel protein 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNN2_RAT P70604 CHEMBL2547 Small conductance calcium-activated potassium channel protein 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNN3_RAT P70605 CHEMBL3780 Small conductance calcium-activated potassium channel protein 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUXR_VIBFI P12746 CHEMBL5351 Transcriptional activator protein luxR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MAPK2_HUMAN P49137 CHEMBL2208 MAP kinase-activated protein kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR_HUMAN P08235 CHEMBL1994 Mineralocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK10_HUMAN P53779 CHEMBL2637 c-Jun N-terminal kinase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K1_HUMAN Q02750 CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K2_HUMAN P36507 CHEMBL2964 Dual specificity mitogen-activated protein kinase kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_HUMAN P48039 CHEMBL1945 Melatonin receptor 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_HUMAN P49286 CHEMBL1946 Melatonin receptor 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3B_RAT Q8VHN2 CHEMBL282 Glutamate [NMDA] receptor subunit 3B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1_RAT Q00959 CHEMBL310 Glutamate [NMDA] receptor subunit epsilon 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_RAT Q00960 CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_RAT Q00961 CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE4_RAT Q62645 CHEMBL303 Glutamate [NMDA] receptor subunit epsilon 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_RAT P29476 CHEMBL3048 Nitric-oxide synthase, brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_HUMAN P35228 CHEMBL4481 Nitric oxide synthase, inducible 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H2_HUMAN P55055 CHEMBL4093 LXR-beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H3_HUMAN Q13133 CHEMBL2808 LXR-alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H4_HUMAN Q96RI1 CHEMBL2047 Bile acid receptor FXR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y14_HUMAN Q15391 CHEMBL4518 Purinergic receptor P2Y14 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1B_RAT Q01066 CHEMBL3665 Phosphodiesterase 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1C_RAT Q63421 CHEMBL2651 Phosphodiesterase 1C 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4B_HUMAN Q07343 CHEMBL275 Phosphodiesterase 4B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4D_HUMAN Q08499 CHEMBL288 Phosphodiesterase 4D 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK1_HUMAN Q15118 CHEMBL4766 Pyruvate dehydrogenase kinase isoform 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK2_HUMAN Q15119 CHEMBL3861 Pyruvate dehydrogenase kinase isoform 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK3_HUMAN Q15120 CHEMBL3893 Pyruvate dehydrogenase kinase isoform 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK4_HUMAN Q16654 CHEMBL4141 Pyruvate dehydrogenase kinase isoform 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_MOUSE P26618 CHEMBL3466 Platelet-derived growth factor receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_MOUSE P05622 CHEMBL2749 Platelet-derived growth factor receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGTB1_HUMAN P53609 CHEMBL4135 Geranylgeranyl transferase type I beta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PNPH_HUMAN P00491 CHEMBL4338 Purine nucleoside phosphorylase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_RAT P37230 CHEMBL2129 Peroxisome proliferator-activated receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8X6S1_ECO57 Q8X6S1 CHEMBL5502 Modulator of drug activity A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q94F81_MAIZE Q94F81 CHEMBL4919 Histone deacetylase HD2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9EPR9_RAT Q9EPR9 CHEMBL2740 Phosphodiesterase 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA_HUMAN P10276 CHEMBL2055 Retinoic acid receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARB_HUMAN P10826 CHEMBL2008 Retinoic acid receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARG_HUMAN P13631 CHEMBL2003 Retinoic acid receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RENI_HUMAN P00797 CHEMBL286 Renin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRA_HUMAN P19793 CHEMBL2061 Retinoid X receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11_RAT P31647 CHEMBL3598 GABA transporter 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12_RAT P48056 CHEMBL5248 Betaine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13_RAT P31646 CHEMBL4889 GABA transporter 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1_RAT P23978 CHEMBL4054 GABA transporter 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR1_HUMAN P30872 CHEMBL1917 Somatostatin receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR2_HUMAN P30874 CHEMBL1804 Somatostatin receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR3_HUMAN P32745 CHEMBL2028 Somatostatin receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR4_HUMAN P31391 CHEMBL1853 Somatostatin receptor 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR5_HUMAN P35346 CHEMBL1792 Somatostatin receptor 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_RAT P68370 CHEMBL4139 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin beta-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR1_HUMAN P36897 CHEMBL4439 TGF-beta receptor type I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR2_HUMAN P37173 CHEMBL4267 TGF-beta receptor type II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_RAT P49430 CHEMBL4028 Thromboxane-A synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THA_HUMAN P10827 CHEMBL1860 Thyroid hormone receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THB_HUMAN P10828 CHEMBL1947 Thyroid hormone receptor beta-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1_HUMAN P11387 CHEMBL1781 DNA topoisomerase I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1_MOUSE Q04750 CHEMBL2814 DNA topoisomerase I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A_HUMAN P11388 CHEMBL1806 DNA topoisomerase II alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A_MOUSE Q01320 CHEMBL3586 DNA topoisomerase II alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2B_HUMAN Q02880 CHEMBL3396 DNA topoisomerase II beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2B_MOUSE Q64511 CHEMBL5564 DNA topoisomerase II beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRAR_RHIRD P33905 CHEMBL5865 Transcriptional activator protein traR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_HUMAN O75762 CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100085 Z100085 CHEMBL614642 DMS-114 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100090 Z100090 CHEMBL613546 ABAE (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100091 Z100091 CHEMBL614666 HS27 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100093 Z100093 CHEMBL614389 LX-1 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100094 Z100094 CHEMBL613547 MLF (Lung fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100095 Z100095 CHEMBL614390 MIP (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100337 Z100337 CHEMBL613549 W1-L2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100489 Z100489 CHEMBL614636 eosinophils (Eosinophils) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100498 Z100498 CHEMBL613289 Hepatocytes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100499 Z100499 CHEMBL612575 SARS coronavirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100501 Z100501 CHEMBL613290 Lu1 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100729 Z100729 CHEMBL613857 AEC (Aortic endothelial cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100733 Z100733 CHEMBL613866 CT26 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100741 Z100741 CHEMBL614867 MC9 (Mast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100744 Z100744 CHEMBL613301 Monocytes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100752 Z100752 CHEMBL612568 Renca (Renal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100753 Z100753 CHEMBL612569 SHP77 (Small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766 Z100766 CHEMBL613712 Radical scavenging activity 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100768 Z100768 CHEMBL613836 TPC1 (Papillary thyroid carinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101845 Z101845 CHEMBL613203 Human echovirus 13 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101973 Z101973 CHEMBL613240 Paracentrotus lividus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102178 Z102178 CHEMBL613694 Liver microsomes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102289 Z102289 CHEMBL613589 Plasma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102317 Z102317 CHEMBL613617 Brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102342 Z102342 CHEMBL613642 Liver 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102380 Z102380 CHEMBL613680 Ileum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103192 Z103192 CHEMBL1075362 Trypanosoma evansi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103359 Z103359 CHEMBL1075544 NCI-H661 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103408 Z103408 CHEMBL1075593 SW626 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103413 Z103413 CHEMBL1075598 SW948 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104287 Z104287 CHEMBL1907593 Neuronal acetylcholine receptor; alpha3/beta4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038 Z50038 CHEMBL612328 Plasmodium yoelii yoelii 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50085 Z50085 CHEMBL612470 Human rhinovirus sp. 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50186 Z50186 CHEMBL353 Staphylococcus epidermidis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50266 Z50266 CHEMBL357 Enterococcus faecium 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50424 Z50424 CHEMBL612855 Cryptosporidium parvum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50473 Z50473 CHEMBL612653 Plasmodium berghei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50591 Z50591 CHEMBL613489 Bos taurus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50619 Z50619 CHEMBL613556 Human poliovirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641 Z50641 CHEMBL613730 West Nile virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652 Z50652 CHEMBL613740 Influenza A virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50665 Z50665 CHEMBL613749 Enterovirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50667 Z50667 CHEMBL612677 Human coxsackievirus B1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50674 Z50674 CHEMBL612678 Human rhinovirus 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50676 Z50676 CHEMBL613757 Dengue virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80006 Z80006 CHEMBL614510 3T3-L1 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80012 Z80012 CHEMBL614512 A 172 (Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80018 Z80018 CHEMBL613859 A-375 (Malignant melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80019 Z80019 CHEMBL614515 A-427 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80024 Z80024 CHEMBL614518 A9 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80025 Z80025 CHEMBL614519 ACHN (Renal adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80026 Z80026 CHEMBL613860 AGS (Gastric adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80030 Z80030 CHEMBL614520 ANN-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80037 Z80037 CHEMBL614065 Balb/MK 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052 Z80052 CHEMBL614533 C8166 (Leukemic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80056 Z80056 CHEMBL613852 CAKI-2 (Renal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80068 Z80068 CHEMBL614542 CCRF-SB (Lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80101 Z80101 CHEMBL614562 COLO 320DM (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80109 Z80109 CHEMBL614565 CTLL (Cytotoxic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80110 Z80110 CHEMBL613507 CV-1 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80115 Z80115 CHEMBL612702 DC3F 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80123 Z80123 CHEMBL614287 DO4 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80130 Z80130 CHEMBL614292 EJ (Bladder carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80135 Z80135 CHEMBL614296 F9 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80138 Z80138 CHEMBL614036 G-361 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80145 Z80145 CHEMBL614045 H69 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80178 Z80178 CHEMBL614040 J774.A1 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80188 Z80188 CHEMBL614590 KB 3-1 (Cervical epithelial carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80208 Z80208 CHEMBL614720 L5178Y (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80243 Z80243 CHEMBL614334 MDA-MB-453 (Breast adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80262 Z80262 CHEMBL614348 NCI-H1975 (Bronchoalveolar carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80268 Z80268 CHEMBL614353 MKN-28 (Gastric epithelial carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80277 Z80277 CHEMBL614170 MM96L (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285 Z80285 CHEMBL614177 MOLT-4 (Acute T-lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80294 Z80294 CHEMBL614184 MT2 (Lymphocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80301 Z80301 CHEMBL613516 N9 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80316 Z80316 CHEMBL614771 NCI-H128 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80322 Z80322 CHEMBL614135 NCI-H358 (Lung carcinama cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80344 Z80344 CHEMBL614205 NT2 (Teratocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80347 Z80347 CHEMBL614208 NUGC-3 (Gastric carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354 Z80354 CHEMBL614213 OVCAR-3 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80364 Z80364 CHEMBL614218 P388/ADR (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80372 Z80372 CHEMBL614224 P388CPT5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80401 Z80401 CHEMBL614241 PSN1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80407 Z80407 CHEMBL614383 R1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80411 Z80411 CHEMBL614143 R30dm-CCRF-CEM (Lymphoblastic leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80443 Z80443 CHEMBL612567 S180 (Sarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80471 Z80471 CHEMBL614910 SH-SY5 (Bone marrow neuroblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482 Z80482 CHEMBL614917 SK-MEL-2 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80488 Z80488 CHEMBL614922 SK-MEL-5 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80492 Z80492 CHEMBL614924 SK-N-SH (Neuroblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80494 Z80494 CHEMBL614926 SKUT-1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80495 Z80495 CHEMBL614927 SK-VLB 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80513 Z80513 CHEMBL614939 SQ20B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80559 Z80559 CHEMBL615021 U251 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80563 Z80563 CHEMBL615025 U-373 MG ( Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80577 Z80577 CHEMBL614057 UT7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80593 Z80593 CHEMBL612808 WiDr-NTR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80623 Z80623 CHEMBL612911 Panel (56 tumour cell lines) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80647 Z80647 CHEMBL613103 833K cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80675 Z80675 CHEMBL614268 AG1523 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80686 Z80686 CHEMBL614274 AZ-521 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80697 Z80697 CHEMBL614279 Bel-7402 (Hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80725 Z80725 CHEMBL613540 C180-13S (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80751 Z80751 CHEMBL614379 Caov-3 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80783 Z80783 CHEMBL614461 COLO1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80784 Z80784 CHEMBL614462 Col2 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80799 Z80799 CHEMBL612517 RPMI 8402 (Pre-T-lymphoblastoid cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80815 Z80815 CHEMBL612247 D54 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80830 Z80830 CHEMBL614641 Ehrlich (Ehrlich ascites carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80847 Z80847 CHEMBL612250 FaDu (Pharyngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80857 Z80857 CHEMBL614499 Friend leukemia cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80860 Z80860 CHEMBL614500 GC3/M cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80862 Z80862 CHEMBL614157 GC3/MTK- cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80890 Z80890 CHEMBL614160 H350.3 (MTX-resistant Reuber hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80895 Z80895 CHEMBL612256 NCI-H596 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80898 Z80898 CHEMBL614785 NCI-H928 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80930 Z80930 CHEMBL614817 HEC-1B cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80942 Z80942 CHEMBL613888 HEL (Embryonic lung cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80979 Z80979 CHEMBL614314 HOS cancer cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81000 Z81000 CHEMBL614316 HT-22 (Hippocampal cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017 Z81017 CHEMBL614647 WiDr (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81070 Z81070 CHEMBL613987 JAM cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81080 Z81080 CHEMBL613991 KATO-III cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81084 Z81084 CHEMBL613992 KB VCR R 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81121 Z81121 CHEMBL613996 KKLS cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81133 Z81133 CHEMBL614000 L1210 (1565) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81134 Z81134 CHEMBL614650 L2987 (Lung adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81137 Z81137 CHEMBL612267 L929 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81160 Z81160 CHEMBL614088 Lewis lung carcinoma cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81164 Z81164 CHEMBL614091 LL cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81184 Z81184 CHEMBL614096 LOX IMVI (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81187 Z81187 CHEMBL614098 LT12 tumor cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81221 Z81221 CHEMBL614114 Lymphoma cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81264 Z81264 CHEMBL614074 V79 (Lung fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81289 Z81289 CHEMBL615004 DOV13 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81330 Z81330 CHEMBL614304 SNU- 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338 Z81338 CHEMBL614309 T-cells 1 Annotations Catalogs SMILES SDF Mol2 Flexibase