UCSF

KEGG-D via PubChem

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

ADME/T 10μM Targets with Highest Number of Available Compounds (78 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
CP3A4_HUMAN P08684 CHEMBL340 Cytochrome P450 3A4 40 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6_HUMAN P10635 CHEMBL289 Cytochrome P450 2D6 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9_HUMAN P11712 CHEMBL3397 Cytochrome P450 2C9 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_HUMAN Q06278 CHEMBL3257 Aldehyde oxidase 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6_HUMAN P20813 CHEMBL4729 Cytochrome P450 2B6 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RAT Q9Z0U5 CHEMBL1641355 Aldehyde oxidase 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN P33261 CHEMBL3622 Cytochrome P450 2C19 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ_RAT P10634 CHEMBL2483 Cytochrome P450 2D2 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6_HUMAN P11509 CHEMBL5282 Cytochrome P450 2A6 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RABIT P80456 CHEMBL1641356 Aldehyde oxidase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2_HUMAN P05177 CHEMBL3356 Cytochrome P450 1A2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MACFA Q5FB27 CHEMBL1641357 Aldehyde oxidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MOUSE O54754 CHEMBL1641354 Aldehyde oxidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5_MOUSE P20852 CHEMBL4085 Cytochrome P450 2A5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C8_HUMAN P10632 CHEMBL3721 Cytochrome P450 2C8 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80704 Z80704 CHEMBL614358 BJ (Foreskin fibroblast cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897 Z80897 CHEMBL614806 H9 (T-lymphoid cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU_HUMAN P02768 CHEMBL3253 Serum albumin 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A5_HUMAN P20815 CHEMBL3019 Cytochrome P450 3A5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80092 Z80092 CHEMBL614031 CHO-K1 (Ovarian cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80178 Z80178 CHEMBL614040 J774.A1 (Macrophage cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80253 Z80253 CHEMBL614342 MEF (Embryonic fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409 Z80409 CHEMBL614385 R2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80901 Z80901 CHEMBL614392 HaCaT (Keratinocytes) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU_RAT P02770 CHEMBL4817 Serum albumin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DI_RAT Q64680 CHEMBL4982 Cytochrome P450 2D18 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S15A2_HUMAN Q16348 CHEMBL1743125 Solute carrier family 15 member 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100091 Z100091 CHEMBL614666 HS27 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102164 Z102164 CHEMBL613373 Liver microsomes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50593 Z50593 CHEMBL612671 Gerbillinae 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052 Z80052 CHEMBL614533 C8166 (Leukemic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80192 Z80192 CHEMBL614709 KM12 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80249 Z80249 CHEMBL614068 MDCK (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80335 Z80335 CHEMBL614200 NHDF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80957 Z80957 CHEMBL614734 HMEC (Microvascular endothelial 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
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81325 Z81325 CHEMBL614300 SR (Leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase