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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50247549'   
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))
BDBM50247549
PNG
(CHEMBL4081584)
Show SMILES OC[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C18H19N3O4/c22-9-13-8-21(14(10-24-13)12-4-2-1-3-5-12)16-7-6-15-18(19-16)20-17(23)11-25-15/h1-7,13-14,22H,8-11H2,(H,19,20,23)/t13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction ...


J Med Chem 61: 1086-1097 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01515
BindingDB Entry DOI: 10.7270/Q2V1277H
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50247549
PNG
(CHEMBL4081584)
Show SMILES OC[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C18H19N3O4/c22-9-13-8-21(14(10-24-13)12-4-2-1-3-5-12)16-7-6-15-18(19-16)20-17(23)11-25-15/h1-7,13-14,22H,8-11H2,(H,19,20,23)/t13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting


J Med Chem 61: 1086-1097 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01515
BindingDB Entry DOI: 10.7270/Q2V1277H
More data for this
Ligand-Target Pair