Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50267651'   

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))	BDBM50267651 ((4-(3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)ph...) Show SMILES CC(C)(O)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/C25H26F6N2O4S/c1-23(2,35)17-11-18(25(29,30)31)13-19(12-17)38(36,37)33-9-7-32(8-10-33)22(34)21-14-20(21)15-3-5-16(6-4-15)24(26,27)28/h3-6,11-13,20-21,35H,7-10,14H2,1-2H3/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	8	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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