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BDBM50319245 2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoicacid::CHEMBL1086567

SMILES: OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1

InChI Key: InChIKey=JTPKNNPOAKKBFI-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 = 50319245   
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))
BDBM50319245
PNG
(2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319245
PNG
(2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319245
PNG
(2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50319245
PNG
(2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair