Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198509'   

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))	BDBM50198509 (5-cyclohexyl-2-(4-fluorophenyl)-3-methyl-1-o-tolyl...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccccc1C |(26.04,-9.18,;26.53,-10.64,;28.01,-11.11,;28.02,-12.66,;29.35,-13.43,;30.69,-12.66,;30.69,-11.11,;32.02,-10.34,;33.36,-11.12,;34.69,-10.36,;34.7,-8.82,;33.37,-8.05,;32.03,-8.81,;29.35,-10.33,;29.35,-8.79,;26.54,-13.14,;25.63,-11.9,;24.09,-11.91,;23.32,-10.59,;21.78,-10.6,;21.02,-11.94,;19.48,-11.95,;21.81,-13.27,;23.34,-13.25,;26.08,-14.61,;24.57,-14.93,;24.1,-16.39,;25.14,-17.53,;26.65,-17.2,;27.11,-15.74,;28.61,-15.4,)| Show InChI InChI=1S/C27H29FN2O/c1-18-8-6-7-11-23(18)30-24-16-17-29(22-9-4-3-5-10-22)27(31)25(24)19(2)26(30)20-12-14-21(28)15-13-20/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	40	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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