UCSF

SynInnova Labs BB

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

Functional 10μM Targets with Highest Number of Available Compounds (143 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV2_RAT Q9WUD2 CHEMBL2863 Transient receptor potential cation channel subfamily V member 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV4_RAT Q9ERZ8 CHEMBL2775 Transient receptor potential cation channel subfamily V member 4 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100492 Z100492 CHEMBL613878 MCF10 (Normal breast epithelial cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50515 Z50515 CHEMBL370 Human herpesvirus 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50518 Z50518 CHEMBL613124 Human herpesvirus 4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606 Z50606 CHEMBL613497 Hepatitis B virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RABIT O02824 CHEMBL3637 Alpha-1a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_RABIT O02666 CHEMBL4407 Alpha-1d adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY3_RAT P21932 CHEMBL4864 Adenylate cyclase type III 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY5_RAT Q04400 CHEMBL2880 Adenylate cyclase type V 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P97706_RAT P97706 CHEMBL4957 Sodium channel protein type VI alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_MOUSE P26618 CHEMBL3466 Platelet-derived growth factor receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_MOUSE P05622 CHEMBL2749 Platelet-derived growth factor receptor beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_MOUSE P37238 CHEMBL2459 Peroxisome proliferator-activated receptor gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2_HUMAN P23975 CHEMBL222 Norepinephrine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A_RAT P15389 CHEMBL3866 Sodium channel protein type V alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A_RAT O88420 CHEMBL2752 Sodium channel protein type VIII alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_HUMAN O75762 CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_HUMAN Q8NER1 CHEMBL4794 Vanilloid receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100405 Z100405 CHEMBL613835 MV4-11 (Myeloid leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101794 Z101794 CHEMBL612743 Felid herpesvirus 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50517 Z50517 CHEMBL613123 Human herpesvirus 5 strain AD169 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50527 Z50527 CHEMBL613132 Human herpesvirus 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658 Z50658 CHEMBL380 Human immunodeficiency virus 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80037 Z80037 CHEMBL614065 Balb/MK 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80094 Z80094 CHEMBL614558 CHO-MG (Ovarian cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106 Z80106 CHEMBL614563 COS-1 (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169 Z80169 CHEMBL614039 Huh-7 (Hepatocellular carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80561 Z80561 CHEMBL615023 U2OS (Osteosarcoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80942 Z80942 CHEMBL613888 HEL (Embryonic lung cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81117 Z81117 CHEMBL613995 Keratinocytes (Keratinocytes) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BLAT_ECOLX P62593 CHEMBL2065 Beta-lactamase TEM 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRAF_HUMAN P15056 CHEMBL5145 Serine/threonine-protein kinase B-raf 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD5_RAT P25115 CHEMBL2281 Dopamine D5 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_MOUSE Q01279 CHEMBL3608 Epidermal growth factor receptor erbB1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB4_HUMAN Q15303 CHEMBL3009 Receptor protein-tyrosine kinase erbB-4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_HUMAN P11362 CHEMBL3650 Fibroblast growth factor receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR2_HUMAN P21802 CHEMBL4142 Fibroblast growth factor receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR3_HUMAN P22607 CHEMBL2742 Fibroblast growth factor receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNA5_HUMAN P22460 CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 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
NMD3B_RAT Q8VHN2 CHEMBL282 Glutamate [NMDA] receptor subunit 3B 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
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_HUMAN Q01959 CHEMBL238 Dopamine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100731 Z100731 CHEMBL613842 Bcap37 (Breast 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
Z102020 Z102020 CHEMBL613016 Porcine endogenous retrovirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103192 Z103192 CHEMBL1075362 Trypanosoma evansi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50529 Z50529 CHEMBL613134 Cytomegalovirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50604 Z50604 CHEMBL613495 Murid herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50611 Z50611 CHEMBL613500 Moloney murine leukemia virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50612 Z50612 CHEMBL613501 Moloney murine sarcoma virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50651 Z50651 CHEMBL613739 Vesicular stomatitis virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80040 Z80040 CHEMBL614527 BHK-21 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80101 Z80101 CHEMBL614562 COLO 320DM (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia 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
Z80253 Z80253 CHEMBL614342 MEF (Embryonic fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80262 Z80262 CHEMBL614348 NCI-H1975 (Bronchoalveolar carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354 Z80354 CHEMBL614213 OVCAR-3 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80612 Z80612 CHEMBL612818 2008 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80823 Z80823 CHEMBL614149 E6SM (Embryonic skin-muscle fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852 Z80852 CHEMBL614069 A-431 (Epidermoid carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80943 Z80943 CHEMBL614819 HEL 299 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80961 Z80961 CHEMBL614828 HN5 (Squamous cell carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81186 Z81186 CHEMBL614097 LS174T (Colon adencocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase