Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50287804'   

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))	BDBM50287804 (2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.68E+4	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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