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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50013417'   
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))		BDBM50013417
PNG
(CHEMBL3263755)
Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
Show InChI InChI=1S/C23H24N4O3/c1-14-17(13-24)8-10-22(25-14)27-20(15-5-3-4-6-15)12-19(26-27)16-7-9-18(23(28)29)21(11-16)30-2/h7-11,15,20H,3-6,12H2,1-2H3,(H,28,29)/t20-/m1/s1
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KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay

J Med Chem 57: 4273-88 (2014)


Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM
More data for this
Ligand-Target Pair