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BDBM50305424 CHEMBL599964::trans-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide

SMILES: C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=SBKRIYBFNQIWLK-RUCARUNLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305424   
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))
BDBM50305424
PNG
(CHEMBL599964 | trans-1-(2-chlorophenyl)-5-(4-chlor...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl |r,wU:4.7,wD:1.0,(2.91,-14.12,;2.14,-12.79,;2.9,-11.45,;2.13,-10.11,;.59,-10.13,;-.17,-11.46,;.6,-12.79,;-.19,-8.8,;-1.72,-8.81,;-2.5,-7.48,;-2.49,-10.15,;-1.95,-11.59,;-3.17,-12.55,;-4.45,-11.69,;-4.03,-10.21,;-4.82,-8.89,;-6.36,-8.92,;-7.91,-8.95,;-5.78,-12.47,;-7.11,-11.7,;-8.44,-12.47,;-8.44,-14.02,;-9.78,-14.79,;-7.11,-14.79,;-5.77,-14.02,;-3.11,-14.08,;-4.42,-14.9,;-4.36,-16.44,;-2.99,-17.16,;-1.69,-16.33,;-1.75,-14.79,;-.45,-13.97,)|
Show InChI InChI=1S/C25H24Cl2N4O/c1-16-6-12-19(13-7-16)29-25(32)23-20(14-15-28)24(17-8-10-18(26)11-9-17)31(30-23)22-5-3-2-4-21(22)27/h2-5,8-11,16,19H,6-7,12-14H2,1H3,(H,29,32)/t16-,19-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/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