Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50305431'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50305431 (2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-phen...) Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C28H23Cl2N5O/c29-21-12-10-20(11-13-21)27-23(14-15-31)26(32-35(27)25-9-5-4-8-24(25)30)28(36)34-18-16-33(17-19-34)22-6-2-1-3-7-22/h1-13H,14,16-19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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
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