ZINC 12

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  ZINC ID or SMILES

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BOC Sciences BB

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

ADME/T 10μM Targets with Highest Number of Available Compounds (45 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	21	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	19	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A2_HUMAN	P05177	CHEMBL3356	Cytochrome P450 1A2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A1_HUMAN	P04798	CHEMBL2231	Cytochrome P450 1A1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80291	Z80291	CHEMBL614181	MRC5 (Embryonic lung fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80409	Z80409	CHEMBL614385	R2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALBU_HUMAN	P02768	CHEMBL3253	Serum albumin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DI_RAT	Q64680	CHEMBL4982	Cytochrome P450 2D18	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
Z100091	Z100091	CHEMBL614666	HS27 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103203	Z103203	CHEMBL1075388	A375	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80005	Z80005	CHEMBL614077	3T3 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80249	Z80249	CHEMBL614068	MDCK (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80253	Z80253	CHEMBL614342	MEF (Embryonic fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80901	Z80901	CHEMBL614392	HaCaT (Keratinocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81244	Z81244	CHEMBL614123	J774 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase