Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50138911'   

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))	BDBM50138911 (CHEMBL158779 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...) Show SMILES CN=C(NS(=O)(=O)c1ccccc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:17| Show InChI InChI=1S/C23H21ClN4O2S/c1-25-23(27-31(29,30)20-10-6-3-7-11-20)28-16-21(17-8-4-2-5-9-17)22(26-28)18-12-14-19(24)15-13-18/h2-15,21H,16H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells				J Med Chem 47: 627-43 (2004) Article DOI: 10.1021/jm031019q BindingDB Entry DOI: 10.7270/Q2610ZQT
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