Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50296148'   

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))	BDBM50296148 (2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,...) Show SMILES Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1 Show InChI InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50296148 (2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,...) Show SMILES Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1 Show InChI InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair