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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50449058'   
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))		BDBM50449058
PNG
(CHEMBL3126947)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H22F3N3O3S/c1-18(2,13-5-4-6-15(7-13)30(3,28)29)11-19(27,20(21,22)23)9-14-8-16-17(26-14)10-24-12-25-16/h4-8,10,12,26-27H,9,11H2,1-3H3
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive binding affinity to mineralocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence ...

J Med Chem 57: 1583-98 (2014)


Article DOI: 10.1021/jm4019178
BindingDB Entry DOI: 10.7270/Q23N24W5
More data for this
Ligand-Target Pair