Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50310044'   

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))	BDBM50310044 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chloropheny...) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:4.7,wD:1.0,(26.91,-26.66,;25.37,-26.65,;24.61,-25.32,;23.06,-25.31,;22.3,-26.64,;23.06,-27.98,;24.59,-27.98,;20.76,-26.64,;19.98,-25.31,;20.75,-23.97,;18.44,-25.31,;17.54,-26.56,;16.08,-26.1,;16.07,-24.55,;17.53,-24.07,;18.14,-22.65,;17.21,-21.42,;15.67,-21.45,;15.17,-19.99,;16.4,-19.07,;17.66,-19.95,;14.73,-23.81,;14.7,-22.27,;13.35,-21.53,;12.03,-22.33,;10.68,-21.59,;12.07,-23.87,;13.42,-24.61,;14.75,-26.87,;13.41,-26.11,;12.09,-26.88,;12.08,-28.43,;10.75,-29.19,;13.41,-29.2,;14.76,-28.43,;16.09,-29.19,)| Show InChI InChI=1S/C26H25Cl3N6O/c1-16-2-9-20(10-3-16)32-26(36)24-21(13-34-15-30-14-31-34)25(17-4-6-18(27)7-5-17)35(33-24)23-11-8-19(28)12-22(23)29/h4-8,11-12,14-16,20H,2-3,9-10,13H2,1H3,(H,32,36)/t16-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	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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