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BDBM50305430 2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamido)-3-methylbutanoic acid::CHEMBL590133

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

InChI Key: InChIKey=XOUPWLHDBOAHMT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305430   
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))
BDBM50305430
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanom...)
Show SMILES CC(C)C(NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C23H20Cl2N4O3/c1-13(2)19(23(31)32)27-22(30)20-16(11-12-26)21(14-7-9-15(24)10-8-14)29(28-20)18-6-4-3-5-17(18)25/h3-10,13,19H,11H2,1-2H3,(H,27,30)(H,31,32)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.25E+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