Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160126'   

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))	BDBM50160126 (2-Benzyloxy-6-(4-dimethylamino-phenyl)-5-(4-methox...) Show SMILES COc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C28H25N3O2/c1-31(2)24-13-9-22(10-14-24)27-26(21-11-15-25(32-3)16-12-21)17-23(18-29)28(30-27)33-19-20-7-5-4-6-8-20/h4-17H,19H2,1-3H3	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	530	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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