BDBM50277753 2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl)-propionylamino]-cyclohex-1-enecarboxylic acid::CHEMBL520513

SMILES: OC(=O)C1=C(CCCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21

InChI Key: InChIKey=GGGKZUYCIJIKSM-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277753   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50277753 (2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3| Show InChI InChI=1S/C19H19N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h6-7,9-10,23H,1-5,8H2,(H,21,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate				J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50277753 (2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3| Show InChI InChI=1S/C19H19N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h6-7,9-10,23H,1-5,8H2,(H,21,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay				J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50277753 (2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3| Show InChI InChI=1S/C19H19N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h6-7,9-10,23H,1-5,8H2,(H,21,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from human GPR109A expressed in CHO cells				J Med Chem 52: 2587-602 (2009) Article DOI: 10.1021/jm900151e BindingDB Entry DOI: 10.7270/Q2RJ4JDG
					More data for this Ligand-Target Pair