Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50332890'   

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))	BDBM50332890 (1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...) Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.51,-5.25,;11.97,-5.24,;11.2,-6.57,;11.21,-3.91,;9.66,-3.9,;8.91,-2.58,;8.88,-5.25,;9.29,-6.72,;8.02,-7.57,;6.82,-6.61,;7.36,-5.18,;6.53,-3.87,;5.28,-6.53,;4.5,-5.2,;5.11,-3.78,;3.01,-5.53,;2.85,-7.04,;4.26,-7.67,;4.58,-9.18,;8.02,-9.12,;6.69,-9.89,;6.68,-11.44,;8.02,-12.21,;8.02,-13.75,;9.36,-11.44,;9.35,-9.89,;10.7,-9.1,)| Show InChI InChI=1S/C20H22Cl2N4O/c1-11(2)23-19(27)18-14(5)20(25-12(3)6-7-13(25)4)26(24-18)17-9-8-15(21)10-16(17)22/h6-11H,1-5H3,(H,23,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	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-55,940 from recombinant human CB1 receptor transfected in HEK cells				Eur J Med Chem 45: 5878-86 (2010) Article DOI: 10.1016/j.ejmech.2010.09.053 BindingDB Entry DOI: 10.7270/Q22Z15T3
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