Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50298957'   

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))	BDBM50298957 (CHEMBL576140 | N-(4-Chlorophenyl)1-(2,4-dichloroph...) Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 |(27.87,-23.36,;28.77,-22.11,;30.3,-22.09,;30.77,-20.63,;29.51,-19.74,;29.5,-18.2,;28.28,-20.65,;26.81,-20.18,;26.33,-18.72,;27.23,-17.47,;24.78,-18.74,;24.33,-20.2,;25.58,-21.1,;25.59,-22.64,;26.93,-23.39,;26.94,-24.93,;25.61,-25.72,;25.62,-27.25,;24.28,-24.95,;24.26,-23.41,;22.93,-22.66,;23.88,-17.5,;24.49,-16.09,;22.35,-17.67,;21.43,-16.44,;19.9,-16.61,;18.99,-15.37,;19.61,-13.96,;18.69,-12.72,;21.13,-13.79,;22.04,-15.03,)| Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
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