Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50332248'   

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))	BDBM50332248 ((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid ethano...) Show SMILES OCCNC(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:11.11| Show InChI InChI=1S/C18H19NO3/c20-12-11-19-18(22)10-9-17(21)8-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-8,13,20H,9-12H2,(H,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 8463-77 (2010) Article DOI: 10.1016/j.bmc.2010.10.050 BindingDB Entry DOI: 10.7270/Q2319W4V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50332248 ((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid ethano...) Show SMILES OCCNC(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |w:11.11| Show InChI InChI=1S/C18H19NO3/c20-12-11-19-18(22)10-9-17(21)8-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-8,13,20H,9-12H2,(H,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 8463-77 (2010) Article DOI: 10.1016/j.bmc.2010.10.050 BindingDB Entry DOI: 10.7270/Q2319W4V
					More data for this Ligand-Target Pair