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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)
LigandTarget/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
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50277753
PNG
(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)
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n/an/a 1.20E+4n/an/an/an/an/an/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
PNG
(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)
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PubMed
n/an/an/an/a 76n/an/an/an/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
PNG
(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)
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n/an/a 5n/an/an/an/an/an/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