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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50009631'   
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))		BDBM50009631
PNG
(CHEMBL3234856)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(Cc2ccccc2)o1)c1ccccc1 |r|
Show InChI InChI=1S/C27H23N3O4/c1-19(22-15-9-4-10-16-22)30-25(31)27(34-26(30)32,18-21-13-7-3-8-14-21)24-29-28-23(33-24)17-20-11-5-2-6-12-20/h2-16,19H,17-18H2,1H3/t19-,27-/m1/s1
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n/an/a 160n/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