Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50259049'   

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))	BDBM50259049 (5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-N...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C22H21Cl3N4OS/c1-12-20(22(30)27-28-10-13-3-2-4-14(13)11-28)26-29(17-6-5-15(23)9-16(17)24)21(12)18-7-8-19(25)31-18/h5-9,13-14H,2-4,10-11H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity				Bioorg Med Chem Lett 19: 2546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.03.046 BindingDB Entry DOI: 10.7270/Q2TB16SP
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