Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50256747'   

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))	BDBM50256747 (4,5-Bis-(2,4-dichloro-phenyl)-[1,2,3]triazole-2-ca...) Show SMILES Clc1ccc(-c2nn(nc2-c2ccc(Cl)cc2Cl)C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 |THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C25H22Cl4N4O/c26-16-1-3-18(20(28)8-16)22-23(19-4-2-17(27)9-21(19)29)32-33(31-22)24(34)30-25-10-13-5-14(11-25)7-15(6-13)12-25/h1-4,8-9,13-15H,5-7,10-12H2,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Central University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 1022-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.029 BindingDB Entry DOI: 10.7270/Q2Z89C8M
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