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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50103246'   
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))
BDBM50103246
PNG
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h5-15,25,27H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.68E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for mineralocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50103246
PNG
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)
Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h5-15,25,27H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for mineralocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair