BindingDB logo
myBDB logout

BDBM50319243 2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid::CHEMBL1086104

SMILES: CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=XUZKZJUMJQXACN-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 = 50319243   
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))
BDBM50319243
PNG
(2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)
Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)
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/an/a 2.20E+4n/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))
BDBM50319243
PNG
(2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)
Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 77n/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))
BDBM50319243
PNG
(2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)
Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.10E+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))
BDBM50319243
PNG
(2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)
Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40E+4n/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