Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50437578'   

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))	BDBM50437578 (CHEMBL2407646) Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1 |r| Show InChI InChI=1S/C28H34N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4,6-7,10-11,14-16,19,22H,5,8-9,12-13,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assay				Bioorg Med Chem Lett 23: 4388-92 (2013) Article DOI: 10.1016/j.bmcl.2013.05.077 BindingDB Entry DOI: 10.7270/Q269751R
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