ZINC 12

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  ZINC ID or SMILES

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IBScreen NP (Depleted)

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

Binding 10μM Targets with Highest Number of Available Compounds (42 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
6PGD_HUMAN	P52209	CHEMBL3404	6-phosphogluconate dehydrogenase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BACE1_HUMAN	P56817	CHEMBL4822	Beta-secretase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
G6PD_YEAST	P11412	CHEMBL1075249	Glucose-6-phosphate 1-dehydrogenase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MET_HUMAN	P08581	CHEMBL3717	Hepatocyte growth factor receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MMP2_HUMAN	P08253	CHEMBL333	Matrix metalloproteinase-2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D5_PLAFA	Q965D5	CHEMBL4150	Enoyl-acyl-carrier protein reductase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D6_PLAFA	Q965D6	CHEMBL4513	3-oxoacyl-acyl-carrier protein reductase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D7_PLAFA	Q965D7	CHEMBL4512	Fatty acid synthase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC	A3EZI9	CHEMBL4893	Hepatitis C virus NS3 protease/helicase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_BOVIN	P23795	CHEMBL4768	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_ELEEL	O42275	CHEMBL4078	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_RAT	P37136	CHEMBL3199	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_TORCA	P04058	CHEMBL4780	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AURKA_HUMAN	O14965	CHEMBL4722	Serine/threonine-protein kinase Aurora-A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BCL2_HUMAN	P10415	CHEMBL4860	Apoptosis regulator Bcl-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_HUMAN	P21917	CHEMBL219	Dopamine D4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERG1_RAT	P52020	CHEMBL4241	Squalene monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA1_HUMAN	P23415	CHEMBL5845	Glycine receptor subunit alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA2_HUMAN	P23416	CHEMBL5871	Glycine receptor subunit alpha-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HSF1_HUMAN	Q00613	CHEMBL5869	Heat shock factor protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LMBL3_HUMAN	Q96JM7	CHEMBL1287623	Lethal(3)malignant brain tumor-like protein 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK14_HUMAN	Q16539	CHEMBL260	MAP kinase p38 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MMP14_HUMAN	P50281	CHEMBL3869	Matrix metalloproteinase 14	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72547_9HIV1	Q72547	CHEMBL247	Human immunodeficiency virus type 1 reverse transcriptase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1	Q7ZJM1	CHEMBL3471	Human immunodeficiency virus type 1 integrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARA_HUMAN	P10276	CHEMBL2055	Retinoic acid receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARA_MOUSE	P11416	CHEMBL2792	Retinoic acid receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARB_HUMAN	P10826	CHEMBL2008	Retinoic acid receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARB_MOUSE	P22605	CHEMBL3266	Retinoic acid receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARG_HUMAN	P13631	CHEMBL2003	Retinoic acid receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RARG_MOUSE	P18911	CHEMBL4177	Retinoic acid receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRA_HUMAN	P19793	CHEMBL2061	Retinoid X receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRA_MOUSE	P28700	CHEMBL3084	Retinoid X receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRB_HUMAN	P28702	CHEMBL1870	Retinoid X receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRB_MOUSE	P28704	CHEMBL4047	Retinoid X receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRG_HUMAN	P48443	CHEMBL2004	Retinoid X receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RXRG_MOUSE	P28705	CHEMBL4402	Retinoid X receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TOP2A_HUMAN	P11388	CHEMBL1806	DNA topoisomerase II alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase