Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50270539'   

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))	BDBM50270539 (5-(4-Chloro-2,6-dimethylphenyl)-1-(2,4-dichlorophe...) Show SMILES Cc1c(nn(c1-c1c(C)cc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(6.9,-10.25,;8.05,-11.27,;9.55,-10.95,;10.33,-12.27,;9.31,-13.42,;7.89,-12.8,;6.57,-13.58,;5.23,-12.81,;5.22,-11.27,;3.9,-13.58,;3.9,-15.13,;2.56,-15.9,;5.23,-15.9,;6.57,-15.13,;6.56,-16.66,;9.63,-14.93,;8.5,-15.96,;8.82,-17.47,;10.29,-17.93,;10.61,-19.45,;11.43,-16.9,;11.1,-15.4,;12.24,-14.36,;10.17,-9.53,;9.26,-8.3,;11.7,-9.38,;12.32,-7.97,;13.86,-7.8,;14.48,-6.42,;13.58,-5.17,;12.04,-5.32,;11.41,-6.74,)| Show InChI InChI=1S/C24H25Cl3N4O/c1-14-11-18(26)12-15(2)21(14)23-16(3)22(24(32)29-30-9-5-4-6-10-30)28-31(23)20-8-7-17(25)13-19(20)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50270539 (5-(4-Chloro-2,6-dimethylphenyl)-1-(2,4-dichlorophe...) Show SMILES Cc1c(nn(c1-c1c(C)cc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(6.9,-10.25,;8.05,-11.27,;9.55,-10.95,;10.33,-12.27,;9.31,-13.42,;7.89,-12.8,;6.57,-13.58,;5.23,-12.81,;5.22,-11.27,;3.9,-13.58,;3.9,-15.13,;2.56,-15.9,;5.23,-15.9,;6.57,-15.13,;6.56,-16.66,;9.63,-14.93,;8.5,-15.96,;8.82,-17.47,;10.29,-17.93,;10.61,-19.45,;11.43,-16.9,;11.1,-15.4,;12.24,-14.36,;10.17,-9.53,;9.26,-8.3,;11.7,-9.38,;12.32,-7.97,;13.86,-7.8,;14.48,-6.42,;13.58,-5.17,;12.04,-5.32,;11.41,-6.74,)| Show InChI InChI=1S/C24H25Cl3N4O/c1-14-11-18(26)12-15(2)21(14)23-16(3)22(24(32)29-30-9-5-4-6-10-30)28-31(23)20-8-7-17(25)13-19(20)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair