ZINC 12

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  ZINC ID or SMILES

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Collaborative Drug Discovery

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

ADME/T 10μM Targets with Highest Number of Available Compounds (92 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	277	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	107	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	75	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A2_HUMAN	P05177	CHEMBL3356	Cytochrome P450 1A2	62	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80954	Z80954	CHEMBL614071	HFF (Foreskin fibroblasts)	26	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	25	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A1_HUMAN	P04798	CHEMBL2231	Cytochrome P450 1A1	23	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	23	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	21	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	21	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	20	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	17	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	17	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	16	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	15	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	15	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	13	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_HUMAN	Q06278	CHEMBL3257	Aldehyde oxidase	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80291	Z80291	CHEMBL614181	MRC5 (Embryonic lung fibroblast cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RAT	Q9Z0U5	CHEMBL1641355	Aldehyde oxidase	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80253	Z80253	CHEMBL614342	MEF (Embryonic fibroblast cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80704	Z80704	CHEMBL614358	BJ (Foreskin fibroblast cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80005	Z80005	CHEMBL614077	3T3 (Fibroblast cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80335	Z80335	CHEMBL614200	NHDF	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RABIT	P80456	CHEMBL1641356	Aldehyde oxidase	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100091	Z100091	CHEMBL614666	HS27 (Fibroblast cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80249	Z80249	CHEMBL614068	MDCK (Kidney cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80901	Z80901	CHEMBL614392	HaCaT (Keratinocytes)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80951	Z80951	CHEMBL614822	NIH3T3 (Fibroblasts)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81244	Z81244	CHEMBL614123	J774 (Macrophage 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
CP2A2_RAT	P15149	CHEMBL3705	Cytochrome P450 2A2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80409	Z80409	CHEMBL614385	R2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALBU_HUMAN	P02768	CHEMBL3253	Serum albumin	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C8_HUMAN	P10632	CHEMBL3721	Cytochrome P450 2C8	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103203	Z103203	CHEMBL1075388	A375	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80002	Z80002	CHEMBL614075	1A9 (Ovarian adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80092	Z80092	CHEMBL614031	CHO-K1 (Ovarian cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81325	Z81325	CHEMBL614300	SR (Leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP24A_HUMAN	Q07973	CHEMBL4521	Cytochrome P450 24A1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DI_RAT	Q64680	CHEMBL4982	Cytochrome P450 2D18	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2E1_HUMAN	P05181	CHEMBL5281	Cytochrome P450 2E1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A5_HUMAN	P20815	CHEMBL3019	Cytochrome P450 3A5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S15A2_HUMAN	Q16348	CHEMBL1743125	Solute carrier family 15 member 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102352	Z102352	CHEMBL613652	Plasma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50531	Z50531	CHEMBL613135	Caenorhabditis elegans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80007	Z80007	CHEMBL614511	41M (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80052	Z80052	CHEMBL614533	C8166 (Leukemic T-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80332	Z80332	CHEMBL614198	NFF (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80433	Z80433	CHEMBL614882	RPMI-8226 (Multiple myeloma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80612	Z80612	CHEMBL612818	2008 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80784	Z80784	CHEMBL614462	Col2 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81137	Z81137	CHEMBL612267	L929 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81264	Z81264	CHEMBL614074	V79 (Lung fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase