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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50403729'   
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))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair