Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213617'   

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 (Mus musculus (Mouse))	BDBM50213617 ((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...) Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB1 receptor				Bioorg Med Chem Lett 17: 4030-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.093 BindingDB Entry DOI: 10.7270/Q2P55N60
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213617 ((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...) Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co. Ltd Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213617 ((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...) Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor				Bioorg Med Chem Lett 17: 4030-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.093 BindingDB Entry DOI: 10.7270/Q2P55N60
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213617 ((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...) Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human CB1 in CHO cells assessed as inhibition of cAMP production				Bioorg Med Chem Lett 17: 4030-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.093 BindingDB Entry DOI: 10.7270/Q2P55N60
					More data for this Ligand-Target Pair