ZINC 12

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  ZINC ID or SMILES

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UORSY

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

Functional 10μM Targets with Highest Number of Available Compounds (137 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CNR2_HUMAN	P34972	CHEMBL253	Cannabinoid CB2 receptor	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50380	Z50380	CHEMBL613088	Mycobacterium smegmatis	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_HUMAN	Q8NER1	CHEMBL4794	Vanilloid receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101865	Z101865	CHEMBL612790	Leishmania chagasi	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50458	Z50458	CHEMBL612878	Leishmania braziliensis	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50600	Z50600	CHEMBL613493	Vaccinia virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80491	Z80491	CHEMBL614163	SK-N-MC (Neuroepithelioma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RAT	P22002	CHEMBL3762	Voltage-gated L-type calcium channel alpha-1C subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1D_RAT	P27732	CHEMBL4132	Voltage-gated L-type calcium channel alpha-1D subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1E_RAT	Q07652	CHEMBL4115	Voltage-gated R-type calcium channel alpha-1E subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1S_RAT	Q02485	CHEMBL4108	Voltage-gated L-type calcium channel alpha-1S subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TS1R2_HUMAN	Q8TE23	CHEMBL1613741	Taste receptor type 1 member 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TS1R3_HUMAN	Q7RTX0	CHEMBL1613742	Taste receptor type 1 member 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50617	Z50617	CHEMBL613554	Human coxsackievirus B3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50641	Z50641	CHEMBL613730	West Nile virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80243	Z80243	CHEMBL614334	MDA-MB-453 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80285	Z80285	CHEMBL614177	MOLT-4 (Acute T-lymphoblastic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81146	Z81146	CHEMBL614066	LCLC-103H cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81233	Z81233	CHEMBL614117	M21 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ABCC9_RAT	Q63563	CHEMBL3244	Sulfonylurea receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_RAT	P08482	CHEMBL276	Muscarinic acetylcholine receptor M1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM3_HUMAN	P20309	CHEMBL245	Muscarinic acetylcholine receptor M3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM5_HUMAN	P08912	CHEMBL2035	Muscarinic acetylcholine receptor M5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_BOVIN	P16116	CHEMBL3081	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CDN1A_HUMAN	P38936	CHEMBL5021	CDK-interacting protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CNR1_HUMAN	P21554	CHEMBL218	Cannabinoid CB1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR3_HUMAN	P62508	CHEMBL4245	Estrogen-related receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR1_HUMAN	O14842	CHEMBL4422	Free fatty acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR2_HUMAN	O15552	CHEMBL5493	Free fatty acid receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FPR2_HUMAN	P25090	CHEMBL4227	Lipoxin A4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GHSR_HUMAN	Q92847	CHEMBL4616	Ghrelin receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM6_HUMAN	O15303	CHEMBL4573	Metabotropic glutamate receptor 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GYRA_ECOLI	P0AES4	CHEMBL1858	DNA gyrase subunit A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GYRB_ECOLI	P0AES6	CHEMBL1826	DNA gyrase subunit B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_RAT	Q9QYN8	CHEMBL4124	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
IRK11_RAT	P70673	CHEMBL3704	Potassium channel, inwardly rectifying, subfamily J, member 11	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
IRK8_RAT	Q63664	CHEMBL4293	Potassium channel, inwardly rectifying, subfamily J, member 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LKHA4_HUMAN	P09960	CHEMBL4618	Leukotriene A4 hydrolase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX7_HUMAN	Q99572	CHEMBL4805	P2X purinoceptor 7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARC_ECOLI	P0AFI2	CHEMBL1895	Topoisomerase IV subunit A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARC_STAAU	P0C1U9	CHEMBL4088	Topoisomerase IV subunit A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	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
Z101873	Z101873	CHEMBL613215	Leishmania peruviana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103204	Z103204	CHEMBL1075389	A427	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50117	Z50117	CHEMBL348	Pseudomonas aeruginosa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50309	Z50309	CHEMBL360	Mycobacterium tuberculosis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50378	Z50378	CHEMBL612640	Mycobacterium intracellulare	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50590	Z50590	CHEMBL613488	Sus scrofa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50609	Z50609	CHEMBL613499	Simian immunodeficiency virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50650	Z50650	CHEMBL613738	Measles virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50651	Z50651	CHEMBL613739	Vesicular stomatitis virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50665	Z50665	CHEMBL613749	Enterovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50666	Z50666	CHEMBL613750	Coxsackievirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50731	Z50731	CHEMBL612353	Echovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80008	Z80008	CHEMBL612565	5637 (Epithelial bladder carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80015	Z80015	CHEMBL613503	A2058 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80112	Z80112	CHEMBL614033	DAN-G	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80169	Z80169	CHEMBL614039	Huh-7 (Hepatocellular carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80387	Z80387	CHEMBL612556	PC-12 (Adrenal phaeochromacytoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80441	Z80441	CHEMBL614889	RXF 944	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80472	Z80472	CHEMBL612542	SiHa (Cervical squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80473	Z80473	CHEMBL613527	SISO	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80475	Z80475	CHEMBL613834	SK-BR-3 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80565	Z80565	CHEMBL614247	U-87 MG (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80604	Z80604	CHEMBL612815	YAPC	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80847	Z80847	CHEMBL612250	FaDu (Pharyngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80942	Z80942	CHEMBL613888	HEL (Embryonic lung cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80951	Z80951	CHEMBL614822	NIH3T3 (Fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80963	Z80963	CHEMBL614808	HNO 97 cell lines	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81006	Z81006	CHEMBL612259	Human breast 401NL tumor cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81025	Z81025	CHEMBL613890	Human lung LXF 529L tumor cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81026	Z81026	CHEMBL614689	Human lung LXF 629L tumor cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81054	Z81054	CHEMBL613977	SF-268 (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81338	Z81338	CHEMBL614309	T-cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase