Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50305398'   

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))	BDBM50305398 (CHEMBL602705 | N-(3-chlorobenzyl)-1-(2-chloropheny...) Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C25H17Cl3N4O/c26-18-10-8-17(9-11-18)24-20(12-13-29)23(31-32(24)22-7-2-1-6-21(22)28)25(33)30-15-16-4-3-5-19(27)14-16/h1-11,14H,12,15H2,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	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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