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BDBM50277579 2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamido)benzoic acid::CHEMBL483352

SMILES: OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21

InChI Key: InChIKey=FFGZNYHUJUEVKE-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50277579   
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))
BDBM50277579
PNG
(2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamid...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H,27,28)
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MMDB

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n/an/a 9.20E+3n/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))
BDBM50277579
PNG
(2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamid...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H,27,28)
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n/an/an/an/a 34n/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))
BDBM50277579
PNG
(2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamid...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H,27,28)
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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
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50277579
PNG
(2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamid...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H,27,28)
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UniChem

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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using montelukast 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