Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50110737'   

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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50110737 (CHEMBL3605921) Show SMILES COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C24H23F2N3O/c1-29(13-15-6-4-3-5-7-15)14-21-23(18-9-8-16(25)12-22(18)30-2)19-10-17(26)11-20(27)24(19)28-21/h3-12,28H,13-14,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
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