Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50309992'   

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 (Rattus norvegicus (rat))	BDBM50309992 (4-((1H-1,2,4-Triazol-1-yl)methyl)-N-benzyl-5-(4-br...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NCc2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C26H19BrCl2N6O/c27-19-8-6-18(7-9-19)25-21(14-34-16-30-15-32-34)24(26(36)31-13-17-4-2-1-3-5-17)33-35(25)23-11-10-20(28)12-22(23)29/h1-12,15-16H,13-14H2,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
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