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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 = 'BDBM50249525'   
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))
BDBM50249525
PNG
(CHEMBL470532 | N-((5-hydroxy-1,3,3-trimethylcycloh...)
Show SMILES CC1(C)CC(O)CC(C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1
Show InChI InChI=1S/C22H27NO4S/c1-21(2)11-15(24)12-22(3,13-21)14-23-28(25,26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)27-20/h4-10,15,23-24H,11-14H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 440n/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))
BDBM50249525
PNG
(CHEMBL470532 | N-((5-hydroxy-1,3,3-trimethylcycloh...)
Show SMILES CC1(C)CC(O)CC(C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1
Show InChI InChI=1S/C22H27NO4S/c1-21(2)11-15(24)12-22(3,13-21)14-23-28(25,26)16-8-9-20-18(10-16)17-6-4-5-7-19(17)27-20/h4-10,15,23-24H,11-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/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