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BDBM50305429 2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamido)-3-phenylpropanoic acid::CHEMBL591098

SMILES: OC(=O)C(Cc1ccccc1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=PKNQOWYTLLPMSG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305429   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305429
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanom...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H20Cl2N4O3/c28-19-12-10-18(11-13-19)25-20(14-15-30)24(32-33(25)23-9-5-4-8-21(23)29)26(34)31-22(27(35)36)16-17-6-2-1-3-7-17/h1-13,22H,14,16H2,(H,31,34)(H,35,36)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.45E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair