Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50176429'   

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))	BDBM50176429 (CHEMBL380483 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...) Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CCO)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at the CB1 receptor				Bioorg Med Chem Lett 16: 681-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.028 BindingDB Entry DOI: 10.7270/Q2PZ58CM
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