Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50074311'   

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 (Rattus norvegicus (rat))	BDBM50074311 (1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)| Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
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