Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160130'   

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))	BDBM50160130 (1-Benzyl-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...) Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(=O)n(Cc2ccccc2)c1-c1ccc(Cl)cc1Cl |(-6.98,-2.28,;-5.65,-1.5,;-5.65,.04,;-4.32,.8,;-2.97,.04,;-2.97,-1.5,;-4.3,-2.28,;-1.64,.8,;-1.64,2.35,;-.3,3.11,;-.3,4.67,;-.32,6.21,;1.04,2.35,;2.37,3.13,;1.04,.8,;2.37,.04,;3.7,.8,;3.7,2.35,;5.03,3.11,;6.37,2.35,;6.37,.8,;5.03,.04,;-.3,.04,;-.3,-1.5,;-1.64,-2.28,;-1.64,-3.82,;-.3,-4.59,;-.3,-6.13,;1.04,-3.82,;1.04,-2.28,;2.37,-1.5,)| Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31)30(15-16-4-2-1-3-5-16)24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2	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	2.00E+3	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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