ZINC 12

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  ZINC ID or SMILES

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ACT Chemical BB

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

Functional 10μM Targets with Highest Number of Available Compounds (129 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARA_HUMAN	Q07869	CHEMBL239	Peroxisome proliferator-activated receptor alpha	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_MOUSE	P37238	CHEMBL2459	Peroxisome proliferator-activated receptor gamma	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80106	Z80106	CHEMBL614563	COS-1 (Kidney cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80561	Z80561	CHEMBL615023	U2OS (Osteosarcoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NTR1_HUMAN	P30989	CHEMBL4123	Neurotensin receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRA_HUMAN	P19793	CHEMBL2061	Retinoid X receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A11_RAT	P31647	CHEMBL3598	GABA transporter 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A12_RAT	P48056	CHEMBL5248	Betaine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A13_RAT	P31646	CHEMBL4889	GABA transporter 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A1_RAT	P23978	CHEMBL4054	GABA transporter 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80169	Z80169	CHEMBL614039	Huh-7 (Hepatocellular carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81117	Z81117	CHEMBL613995	Keratinocytes (Keratinocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma 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
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_CANFA	Q60F97	CHEMBL1770041	5-hydroxytryptamine receptor 2C	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ABL1_HUMAN	P00519	CHEMBL1862	Tyrosine-protein kinase ABL	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BCR_HUMAN	P11274	CHEMBL5146	Breakpoint cluster region protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_BOVIN	Q95323	CHEMBL281	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	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
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM8_RAT	P70579	CHEMBL2718	Metabotropic glutamate receptor 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITA2B_HUMAN	P08514	CHEMBL212	Integrin alpha-IIb	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITB3_HUMAN	P05106	CHEMBL207	Integrin beta-3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNN1_RAT	P70606	CHEMBL3743	Small conductance calcium-activated potassium channel protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNN2_RAT	P70604	CHEMBL2547	Small conductance calcium-activated potassium channel protein 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNN3_RAT	P70605	CHEMBL3780	Small conductance calcium-activated potassium channel protein 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KIT_HUMAN	P10721	CHEMBL1936	Stem cell growth factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_HUMAN	P08183	CHEMBL4302	P-glycoprotein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_MOUSE	P06795	CHEMBL3467	P-glycoprotein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS1_RAT	P29476	CHEMBL3048	Nitric-oxide synthase, brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS3_HUMAN	P29474	CHEMBL4803	Nitric-oxide synthase, endothelial	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGFRA_HUMAN	P16234	CHEMBL2007	Platelet-derived growth factor receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN1A_HUMAN	P35498	CHEMBL1845	Sodium channel protein type I alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_HUMAN	Q99250	CHEMBL4187	Sodium channel protein type II alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN3A_HUMAN	Q9NY46	CHEMBL5163	Sodium channel protein type III alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_RAT	Q923Y9	CHEMBL3833	Trace amine-associated receptor1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100515	Z100515	CHEMBL612595	HPAC (Pancreatic adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100733	Z100733	CHEMBL613866	CT26 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100741	Z100741	CHEMBL614867	MC9 (Mast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100757	Z100757	CHEMBL612570	SW1573 (Lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100766	Z100766	CHEMBL613712	Radical scavenging activity	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101736	Z101736	CHEMBL613347	Colletotrichum coccodes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103393	Z103393	CHEMBL1075578	SK-N-AS	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103407	Z103407	CHEMBL1075592	SW1990	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50501	Z50501	CHEMBL613109	Gallus gallus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50677	Z50677	CHEMBL613758	Human immunodeficiency virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80030	Z80030	CHEMBL614520	ANN-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80036	Z80036	CHEMBL614524	BaF3 (IL-3-dependent pro-B-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80037	Z80037	CHEMBL614065	Balb/MK	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80048	Z80048	CHEMBL614530	BXPC-3 (Pancreatic adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80132	Z80132	CHEMBL614293	EL4 (Thymoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80255	Z80255	CHEMBL613827	MES-SA/DxS (Uterine sarcoma cells)	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
Z80457	Z80457	CHEMBL614901	SCC-25	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80466	Z80466	CHEMBL614907	SF268	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80478	Z80478	CHEMBL614913	SK-LU-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80482	Z80482	CHEMBL614917	SK-MEL-2 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80492	Z80492	CHEMBL614924	SK-N-SH (Neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80563	Z80563	CHEMBL615025	U-373 MG ( Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80702	Z80702	CHEMBL613537	BG-1 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80726	Z80726	CHEMBL614367	TRAMP-C1A (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80730	Z80730	CHEMBL614368	C2D cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80731	Z80731	CHEMBL613541	C2G cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80732	Z80732	CHEMBL614369	TRAMP-C2H (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80742	Z80742	CHEMBL614657	C6 (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81068	Z81068	CHEMBL614649	Ishikawa (Uterine carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase