Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50267908'   

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))	BDBM50267908 ((4-(3-(5-methyl-4H-1,2,4-triazol-3-yl)-5-(trifluor...) Show SMILES Cc1nnc([nH]1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F6N5O3S/c1-14-32-22(34-33-14)16-10-18(25(29,30)31)12-19(11-16)40(38,39)36-8-6-35(7-9-36)23(37)21-13-20(21)15-2-4-17(5-3-15)24(26,27)28/h2-5,10-12,20-21H,6-9,13H2,1H3,(H,32,33,34)/t20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
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