Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50287805'   

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))	BDBM50287805 (2-[1-(2-Chloro-4-fluoro-benzoyl)-5-methoxy-2-methy...) Show SMILES COc1ccc2n(C(=O)c3ccc(F)cc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22ClFN2O4/c1-14-18(13-22(28)26-7-9-31-10-8-26)19-12-16(30-2)4-6-21(19)27(14)23(29)17-5-3-15(25)11-20(17)24/h3-6,11-12H,7-10,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for binding affinity against recombinant human central cannabinoid receptor 1				Bioorg Med Chem Lett 6: 2263-2268 (1996) Article DOI: 10.1016/0960-894X(96)00426-X BindingDB Entry DOI: 10.7270/Q2MS3SRN
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