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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50439612'   
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))		BDBM50439612
PNG
(CHEMBL2419296)
Show SMILES CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H19FN2O3/c1-12-20(14-4-9-18-17(10-14)24-19(26)11-28-18)21(13-2-5-15(23)6-3-13)22(27)25(12)16-7-8-16/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,24,26)
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Similars
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 21: 5983-94 (2013)


Article DOI: 10.1016/j.bmc.2013.07.043
BindingDB Entry DOI: 10.7270/Q2TD9ZSH
More data for this
Ligand-Target Pair