Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50140227'   

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))	BDBM50140227 (1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...) Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CC3CCCC3C2)c1C#C)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H21Cl3N4O/c1-2-22-23(25(33)30-31-13-15-4-3-5-16(15)14-31)29-24(20-11-8-18(27)12-21(20)28)32(22)19-9-6-17(26)7-10-19/h1,6-12,15-16H,3-5,13-14H2,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity towards human Cannabinoid receptor 1				Bioorg Med Chem Lett 14: 1151-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.068 BindingDB Entry DOI: 10.7270/Q2MW2GKB
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