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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50449060'   
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))		BDBM50449060
PNG
(CHEMBL3126945)
Show SMILES CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C21H21ClF3N3O2/c1-19(2,15-6-13(22)5-12-3-4-30-18(12)15)10-20(29,21(23,24)25)8-14-7-16-17(28-14)9-26-11-27-16/h5-7,9,11,28-29H,3-4,8,10H2,1-2H3
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PC cid
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Similars
Article
PubMed
n/an/a 340n/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