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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50024809'   
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))
BDBM50024809
PNG
(CHEMBL3337733)
Show SMILES Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O3/c1-13-20(15-5-8-18-17(11-15)23-19(27)12-28-18)21(25(24-13)9-2-10-26)14-3-6-16(22)7-4-14/h3-8,11,26H,2,9-10,12H2,1H3,(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 440n/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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024809
PNG
(CHEMBL3337733)
Show SMILES Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O3/c1-13-20(15-5-8-18-17(11-15)23-19(27)12-28-18)21(25(24-13)9-2-10-26)14-3-6-16(22)7-4-14/h3-8,11,26H,2,9-10,12H2,1H3,(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 680n/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