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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50359651'   
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))
BDBM50359651
PNG
(CHEMBL1929041)
Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF4N3O2/c1-9-4-11(21)2-3-14(9)27-15(7-16(26-27)19(22,23)24)10-5-12(20)18-13(6-10)25-17(28)8-29-18/h2-7H,8H2,1H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation counting


J Med Chem 54: 8616-31 (2011)


Article DOI: 10.1021/jm2011645
BindingDB Entry DOI: 10.7270/Q21G0MP5
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50359651
PNG
(CHEMBL1929041)
Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF4N3O2/c1-9-4-11(21)2-3-14(9)27-15(7-16(26-27)19(22,23)24)10-5-12(20)18-13(6-10)25-17(28)8-29-18/h2-7H,8H2,1H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MR transfected in human COS1 cells after 1 day by luciferase reporter gene assay


J Med Chem 54: 8616-31 (2011)


Article DOI: 10.1021/jm2011645
BindingDB Entry DOI: 10.7270/Q21G0MP5
More data for this
Ligand-Target Pair