Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160098'   

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))	BDBM50160098 (2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...) Show SMILES CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H21Cl3N2O2/c1-32(2)27(33)23-15-22(18-8-10-19(28)11-9-18)25(21-13-12-20(29)14-24(21)30)31-26(23)34-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
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