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BDBM50305394 2-(1-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carbonyl)piperidin-4-yl)benzoic acid::CHEMBL595367

SMILES: OC(=O)c1ccccc1C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl

InChI Key: InChIKey=PWZFXQQIDJNWEB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305394   
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))
BDBM50305394
PNG
(2-(1-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cya...)
Show SMILES OC(=O)c1ccccc1C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C30H24Cl2N4O3/c31-21-11-9-20(10-12-21)28-24(13-16-33)27(34-36(28)26-8-4-3-7-25(26)32)29(37)35-17-14-19(15-18-35)22-5-1-2-6-23(22)30(38)39/h1-12,19H,13-15,17-18H2,(H,38,39)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.81E+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