Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198521'   

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))	BDBM50198521 (5-cyclohexyl-3-methyl-1-o-tolyl-2-(4-(trifluoromet...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccccc1C |(-.13,-9.49,;.36,-10.95,;1.84,-11.42,;1.85,-12.97,;3.18,-13.74,;4.52,-12.97,;4.52,-11.42,;5.86,-10.65,;7.19,-11.43,;8.52,-10.67,;8.53,-9.13,;7.2,-8.36,;5.86,-9.12,;3.18,-10.64,;3.18,-9.1,;.38,-13.45,;-.54,-12.21,;-2.08,-12.22,;-2.85,-10.9,;-4.39,-10.91,;-5.15,-12.25,;-4.36,-13.58,;-2.83,-13.56,;-6.69,-12.26,;-8.24,-12.26,;-6.69,-13.8,;-6.69,-10.72,;-.09,-14.92,;-1.6,-15.24,;-2.07,-16.71,;-1.03,-17.85,;.48,-17.51,;.94,-16.05,;2.44,-15.71,)| Show InChI InChI=1S/C28H29F3N2O/c1-18-8-6-7-11-23(18)33-24-16-17-32(22-9-4-3-5-10-22)27(34)25(24)19(2)26(33)20-12-14-21(15-13-20)28(29,30)31/h6-8,11-15,22H,3-5,9-10,16-17H2,1-2H3	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 673-8 (2007) Article DOI: 10.1016/j.bmcl.2006.10.095 BindingDB Entry DOI: 10.7270/Q2M9089N
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