ZINC 12

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  ZINC ID or SMILES

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Asinex

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

Functional 10μM Targets with Highest Number of Available Compounds (132 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	27	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OX2R_HUMAN	O43614	CHEMBL4792	Orexin receptor 2	17	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	17	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	13	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OX1R_HUMAN	O43613	CHEMBL5113	Orexin receptor 1	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80243	Z80243	CHEMBL614334	MDA-MB-453 (Breast adenocarcinoma cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PE2R3_HUMAN	P43115	CHEMBL3710	Prostanoid EP3 receptor	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_HUMAN	P41594	CHEMBL3227	Metabotropic glutamate receptor 5	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50600	Z50600	CHEMBL613493	Vaccinia virus	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_HUMAN	P11229	CHEMBL216	Muscarinic acetylcholine receptor M1	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ECR_AEDAE	P49880	CHEMBL3413	Ecdysone receptor	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_HUMAN	Q9Y5N1	CHEMBL264	Histamine H3 receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXYR_HUMAN	P30559	CHEMBL2049	Oxytocin receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_RAT	Q6RI86	CHEMBL5160	Transient receptor potential cation channel subfamily A member 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM3_HUMAN	P20309	CHEMBL245	Muscarinic acetylcholine receptor M3	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM5_HUMAN	P08912	CHEMBL2035	Muscarinic acetylcholine receptor M5	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FPR2_HUMAN	P25090	CHEMBL4227	Lipoxin A4 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
V1AR_HUMAN	P37288	CHEMBL1889	Vasopressin V1a receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50417	Z50417	CHEMBL612848	Leishmania infantum	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80491	Z80491	CHEMBL614163	SK-N-MC (Neuroepithelioma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_HUMAN	P46098	CHEMBL1899	Serotonin 3a (5-HT3a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RABIT	P15381	CHEMBL2830	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
CNR2_HUMAN	P34972	CHEMBL253	Cannabinoid CB2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HS90A_HUMAN	P07900	CHEMBL3880	Heat shock protein HSP 90-alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HS90B_HUMAN	P08238	CHEMBL4303	Heat shock protein HSP 90-beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MCR_HUMAN	P08235	CHEMBL1994	Mineralocorticoid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100699	Z100699	CHEMBL613862	Chromobacterium violaceum	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101849	Z101849	CHEMBL613205	Human papillomavirus type 16	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103204	Z103204	CHEMBL1075389	A427	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50651	Z50651	CHEMBL613739	Vesicular stomatitis virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80008	Z80008	CHEMBL612565	5637 (Epithelial bladder carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80112	Z80112	CHEMBL614033	DAN-G	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80473	Z80473	CHEMBL613527	SISO	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80604	Z80604	CHEMBL612815	YAPC	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81146	Z81146	CHEMBL614066	LCLC-103H cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3B_HUMAN	O95264	CHEMBL3895	Serotonin 3b (5-HT3b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA1R_RAT	P25099	CHEMBL318	Adenosine A1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_CAVPO	P46616	CHEMBL2605	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_RAT	P30543	CHEMBL302	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_HUMAN	P29275	CHEMBL255	Adenosine A2b receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM2_HUMAN	P08172	CHEMBL211	Muscarinic acetylcholine receptor M2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM4_HUMAN	P08173	CHEMBL1821	Muscarinic acetylcholine receptor M4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BACE1_HUMAN	P56817	CHEMBL4822	Beta-secretase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BACE2_HUMAN	Q9Y5Z0	CHEMBL2525	Beta secretase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CDN1A_HUMAN	P38936	CHEMBL5021	CDK-interacting protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR1_HUMAN	O14842	CHEMBL4422	Free fatty acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_RAT	P19490	CHEMBL3753	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA2_RAT	P19491	CHEMBL3503	Glutamate receptor ionotropic, AMPA 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA3_RAT	P19492	CHEMBL3504	Glutamate receptor ionotropic, AMPA 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA4_RAT	P19493	CHEMBL3505	Glutamate receptor ionotropic, AMPA 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_HUMAN	Q13255	CHEMBL3772	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM6_HUMAN	O15303	CHEMBL4573	Metabotropic glutamate receptor 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE1B_RAT	Q01066	CHEMBL3665	Phosphodiesterase 1B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE1C_RAT	Q63421	CHEMBL2651	Phosphodiesterase 1C	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGFRA_RAT	P20786	CHEMBL2513	Platelet-derived growth factor receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGFRB_RAT	Q05030	CHEMBL4125	Platelet-derived growth factor receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9EPR9_RAT	Q9EPR9	CHEMBL2740	Phosphodiesterase 1A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TPOR_HUMAN	P40238	CHEMBL1864	Thrombopoietin receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_RAT	O35433	CHEMBL5102	Vanilloid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100502	Z100502	CHEMBL612590	ARO (Anaplastic thyroid carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100748	Z100748	CHEMBL613710	Neutrophils	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101873	Z101873	CHEMBL613215	Leishmania peruviana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102013	Z102013	CHEMBL613257	Plasmodium malariae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102015	Z102015	CHEMBL613013	Plasmodium vivax	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104297	Z104297	CHEMBL1907603	Glutamate NMDA receptor; GRIN1/GRIN2B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50142	Z50142	CHEMBL612610	Influenza A virus (A/PR/8/34(H1N1))	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50458	Z50458	CHEMBL612878	Leishmania braziliensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50650	Z50650	CHEMBL613738	Measles virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80024	Z80024	CHEMBL614518	A9 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80169	Z80169	CHEMBL614039	Huh-7 (Hepatocellular carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80334	Z80334	CHEMBL613828	NG108-15 (Neuroblastoma-glioma hybrid cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80482	Z80482	CHEMBL614917	SK-MEL-2 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81130	Z81130	CHEMBL614012	KYSE-70 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase