Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50316516'   

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))	BDBM50316516 (CHEMBL1095499 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...) Show SMILES CC1(C)CC(NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H23Cl3N2O3/c1-25(2)13-21(30-24(32)26(33)9-10-26)19-12-18(14-3-5-15(27)6-4-14)22(31-23(19)34-25)17-8-7-16(28)11-20(17)29/h3-8,11-12,21,33H,9-10,13H2,1-2H3,(H,30,32)	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	6.5	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 cannabinoid CB1 receptor expressed in CHO cells				J Med Chem 53: 4028-37 (2010) Article DOI: 10.1021/jm100023j BindingDB Entry DOI: 10.7270/Q2TQ61QD
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