Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50204176'   

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))	BDBM50204176 (CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...) Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
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