Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50240605'   

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))	BDBM50240605 ((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50240605 ((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.36E+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
					More data for this Ligand-Target Pair