Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160124'   

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))	BDBM50160124 (2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...) Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)NCCC)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25Cl3N2O2/c1-3-5-13-32-25-21(24(31)29-12-4-2)15-20(16-6-8-17(26)9-7-16)23(30-25)19-11-10-18(27)14-22(19)28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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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