Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50011317'   

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))	BDBM50011317 (CHEMBL3260744) Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)| Show InChI InChI=1S/C27H22ClF3N6O2/c1-4-35-26(39)37-24(34-35)22(17-5-8-19(28)9-6-17)23(20-11-12-32-13-15(20)2)25(38)36(37)14-18-7-10-21(27(29,30)31)33-16(18)3/h5-13H,4,14H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis				J Med Chem 56: 9586-600 (2014) Article DOI: 10.1021/jm4010835 BindingDB Entry DOI: 10.7270/Q24X59B8
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