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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50024848'   
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))
BDBM50024848
PNG
(CHEMBL3337824)
Show SMILES CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-13(2)11-26-22(15-4-7-17(23)8-5-15)21(14(3)25-26)16-6-9-19-18(10-16)24-20(27)12-28-19/h4-10,13H,11-12H2,1-3H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024848
PNG
(CHEMBL3337824)
Show SMILES CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-13(2)11-26-22(15-4-7-17(23)8-5-15)21(14(3)25-26)16-6-9-19-18(10-16)24-20(27)12-28-19/h4-10,13H,11-12H2,1-3H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair