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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50235954'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Mineralocorticoid receptor


(RAT)		BDBM50235954
PNG
(CHEMBL4075017)
Show SMILES COc1cc(NC(=O)c2ccc(c(CO)c2)-c2ccccc2-c2cccs2)ccc1S(N)(=O)=O
Show InChI InChI=1S/C25H22N2O5S2/c1-32-22-14-18(9-11-24(22)34(26,30)31)27-25(29)16-8-10-19(17(13-16)15-28)20-5-2-3-6-21(20)23-7-4-12-33-23/h2-14,28H,15H2,1H3,(H,27,29)(H2,26,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...

J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair