ZINC 12

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  ZINC ID or SMILES

• General
• Distributions & Clustering
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• Clustered Targets

SMDC ChBr Diverse

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

Functional 10μM Targets with Highest Number of Available Compounds (90 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	23	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	15	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101849	Z101849	CHEMBL613205	Human papillomavirus type 16	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_RAT	P15207	CHEMBL3072	Androgen Receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50324	Z50324	CHEMBL612710	Arabidopsis thaliana	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50600	Z50600	CHEMBL613493	Vaccinia virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FSHR_HUMAN	P23945	CHEMBL2024	Follicle stimulating hormone receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80092	Z80092	CHEMBL614031	CHO-K1 (Ovarian cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80877	Z80877	CHEMBL612255	NCI-H1299 (Non-small cell lung carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RAT	P23944	CHEMBL326	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C5AR_HUMAN	P21730	CHEMBL2373	C5a anaphylatoxin chemotactic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CNR2_HUMAN	P34972	CHEMBL253	Cannabinoid CB2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ECR_AEDAE	P49880	CHEMBL3413	Ecdysone receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_HUMAN	Q13255	CHEMBL3772	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_HUMAN	P41594	CHEMBL3227	Metabotropic glutamate receptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_CAVPO	P31389	CHEMBL3943	Histamine H1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KITH_HHV1S	P06479	CHEMBL1820	Thymidine kinase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR1_HUMAN	Q92633	CHEMBL3819	Lysophosphatidic acid receptor Edg-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR2_HUMAN	Q9HBW0	CHEMBL3724	Lysophosphatidic acid receptor Edg-4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	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
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
TRPV1_HUMAN	Q8NER1	CHEMBL4794	Vanilloid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100497	Z100497	CHEMBL612571	Bovine viral diarrhea virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100502	Z100502	CHEMBL612590	ARO (Anaplastic thyroid carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101722	Z101722	CHEMBL613342	Chlorella vulgaris	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102020	Z102020	CHEMBL613016	Porcine endogenous retrovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50391	Z50391	CHEMBL612824	Spinacia oleracea	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50612	Z50612	CHEMBL613501	Moloney murine sarcoma virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50658	Z50658	CHEMBL380	Human immunodeficiency virus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50677	Z50677	CHEMBL613758	Human immunodeficiency virus	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
Z80071	Z80071	CHEMBL614028	CEM-0 (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80073	Z80073	CHEMBL614545	CEM-c113	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80077	Z80077	CHEMBL614044	CEM-TK(-)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80294	Z80294	CHEMBL614184	MT2 (Lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80472	Z80472	CHEMBL612542	SiHa (Cervical squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80475	Z80475	CHEMBL613834	SK-BR-3 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80555	Z80555	CHEMBL615018	TSGH	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80565	Z80565	CHEMBL614247	U-87 MG (Glioblastoma 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
Z80798	Z80798	CHEMBL614470	CPT30 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80951	Z80951	CHEMBL614822	NIH3T3 (Fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80967	Z80967	CHEMBL614831	Hone-1 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81280	Z81280	CHEMBL614740	NCI-H226 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase