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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50247548'   
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))
BDBM50247548
PNG
(CHEMBL4079143)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ncc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C17H18N4O3/c1-11-8-21(13(9-23-11)12-5-3-2-4-6-12)17-18-7-14-16(20-17)19-15(22)10-24-14/h2-7,11,13H,8-10H2,1H3,(H,18,19,20,22)/t11-,13+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 113n/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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50247548
PNG
(CHEMBL4079143)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ncc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C17H18N4O3/c1-11-8-21(13(9-23-11)12-5-3-2-4-6-12)17-18-7-14-16(20-17)19-15(22)10-24-14/h2-7,11,13H,8-10H2,1H3,(H,18,19,20,22)/t11-,13+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 266n/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