Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50332878'   

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))	BDBM50332878 (1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...) Show SMILES CCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(20.22,-4.85,;19.42,-3.51,;17.9,-3.54,;17.11,-2.21,;15.57,-2.24,;14.78,-.92,;14.83,-3.58,;15.31,-5.02,;14.08,-5.94,;12.83,-5.05,;13.29,-3.58,;12.38,-2.34,;11.37,-5.54,;10.9,-6.99,;11.8,-8.23,;9.35,-7,;8.87,-5.54,;10.09,-4.63,;10.08,-3.09,;14.1,-7.48,;12.77,-8.27,;12.79,-9.81,;14.13,-10.57,;14.14,-12.11,;15.46,-9.79,;15.44,-8.24,;16.77,-7.45,)| Show InChI InChI=1S/C20H22Cl2N4O/c1-5-10-23-19(27)18-14(4)20(25-12(2)6-7-13(25)3)26(24-18)17-9-8-15(21)11-16(17)22/h6-9,11H,5,10H2,1-4H3,(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	290	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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