Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50305391'   

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))	BDBM50305391 (2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(met...) Show SMILES CS(=O)(=O)C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H22Cl2N4O3S/c1-34(32,33)18-11-14-29(15-12-18)24(31)22-19(10-13-27)23(16-6-8-17(25)9-7-16)30(28-22)21-5-3-2-4-20(21)26/h2-9,18H,10-12,14-15H2,1H3	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	17	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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