Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160103'   

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))	BDBM50160103 (5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(2,4...) Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-1-14(2-5-17)21-9-16(12-31)25(33-13-15-3-7-19(29)11-23(15)30)32-24(21)20-8-6-18(27)10-22(20)28/h1-11H,13H2	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
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