Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50161569'   

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))	BDBM50161569 (5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-ethy...) Show SMILES CCn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H24Cl3N3O/c1-2-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells				Bioorg Med Chem Lett 15: 1441-6 (2005) Article DOI: 10.1016/j.bmcl.2004.12.078 BindingDB Entry DOI: 10.7270/Q2F18Z7R
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