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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50009626'   
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


(Homo sapiens (Human))
BDBM50009626
PNG
(CHEMBL3234851)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc([nH]1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H22N4O3/c1-18(20-13-7-3-8-14-20)30-24(31)26(33-25(30)32,17-19-11-5-2-6-12-19)23-27-22(28-29-23)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3,(H,27,28,29)/t18-,26-/m1/s1
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KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assay


Bioorg Med Chem Lett 24: 1681-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.057
BindingDB Entry DOI: 10.7270/Q2N87C9H
More data for this
Ligand-Target Pair