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BDBM50305404 CHEMBL590387::N-(3-bromo-4-fluorobenzyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamide

SMILES: Fc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1Br

InChI Key: InChIKey=RAJBNWQWTHKCHD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305404   
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))
BDBM50305404
PNG
(CHEMBL590387 | N-(3-bromo-4-fluorobenzyl)-1-(2-chl...)
Show SMILES Fc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1Br
Show InChI InChI=1S/C25H16BrCl2FN4O/c26-19-13-15(5-10-21(19)29)14-31-25(34)23-18(11-12-30)24(16-6-8-17(27)9-7-16)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/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