Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160129'   

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))	BDBM50160129 (2-Benzyloxy-5-(4-chloro-phenyl)-N-cyclopentyl-6-(2...) Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NC2CCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H25Cl3N2O2/c31-21-12-10-20(11-13-21)25-17-26(29(36)34-23-8-4-5-9-23)30(37-18-19-6-2-1-3-7-19)35-28(25)24-15-14-22(32)16-27(24)33/h1-3,6-7,10-17,23H,4-5,8-9,18H2,(H,34,36)	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	18	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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