Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50325215'   

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))	BDBM50325215 (2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophe...) Show SMILES Cc1ccc(cc1)C1(CC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H22BrCl2N7S/c1-18-2-6-20(7-3-18)30(12-13-30)29-37-36-28(41-29)26-23(15-39-17-34-16-35-39)27(19-4-8-21(31)9-5-19)40(38-26)25-11-10-22(32)14-24(25)33/h2-11,14,16-17H,12-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 6377-88 (2010) Article DOI: 10.1016/j.bmc.2010.07.013 BindingDB Entry DOI: 10.7270/Q2XG9RBT
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