new BindingDB logo
myBDB logout

BDBM50305399 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2-fluorobenzyl)-1H-pyrazole-3-carboxamide::CHEMBL589652

SMILES: Fc1ccccc1CNC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=IQOQDLZIWMLGJL-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50305399   
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))
BDBM50305399
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Fc1ccccc1CNC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H17Cl2FN4O/c26-18-11-9-16(10-12-18)24-19(13-14-29)23(31-32(24)22-8-4-2-6-20(22)27)25(33)30-15-17-5-1-3-7-21(17)28/h1-12H,13,15H2,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/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