Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50205189'   

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))	BDBM50205189 (3-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...) Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-7-3-6-21(25)14-22)23(13-17-8-10-20(24)11-9-17)19-5-2-4-18(12-19)15-26/h2-12,14,16,23,27H,13H2,1H3/t16-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2184-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.087 BindingDB Entry DOI: 10.7270/Q2HM584G
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