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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50235981'   
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))		BDBM50235981
PNG
(CHEMBL4063735)
Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccc(F)cc4COc4cc(F)ccc34)cc2[nH]c1=NC#N |r|
Show InChI InChI=1S/C30H27F2N5O2/c1-19(16-36-8-10-38-11-9-36)37-28-7-2-20(13-27(28)35-30(37)34-18-33)12-26-24-5-3-22(31)14-21(24)17-39-29-15-23(32)4-6-25(26)29/h2-7,12-15,19H,8-11,16-17H2,1H3,(H,34,35)/b26-12+/t19-/m1/s1
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MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.790n/an/an/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 overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method

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