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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50249501'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249501
PNG
((E)-N'-(2,4-dihydroxy-6-methylbenzylidene)-2,3-dih...)
Show SMILES Cc1cc(O)cc(O)c1C=NNC(=O)C1COc2ccccc2O1 |w:10.11|
Show InChI InChI=1S/C17H16N2O5/c1-10-6-11(20)7-13(21)12(10)8-18-19-17(22)16-9-23-14-4-2-3-5-15(14)24-16/h2-8,16,20-21H,9H2,1H3,(H,19,22)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249501
PNG
((E)-N'-(2,4-dihydroxy-6-methylbenzylidene)-2,3-dih...)
Show SMILES Cc1cc(O)cc(O)c1C=NNC(=O)C1COc2ccccc2O1 |w:10.11|
Show InChI InChI=1S/C17H16N2O5/c1-10-6-11(20)7-13(21)12(10)8-18-19-17(22)16-9-23-14-4-2-3-5-15(14)24-16/h2-8,16,20-21H,9H2,1H3,(H,19,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.98E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair