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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 = 'BDBM50340441'   
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


(Homo sapiens (Human))
BDBM50340441
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2H-benzo[b][1...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCOc2ccccc12
Show InChI InChI=1S/C16H18N4O2/c21-16(19-6-5-12(11-19)13-9-17-18-10-13)20-7-8-22-15-4-2-1-3-14(15)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50340441
PNG
((3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(2H-benzo[b][1...)
Show SMILES O=C(N1CCC(C1)c1cn[nH]c1)N1CCOc2ccccc12
Show InChI InChI=1S/C16H18N4O2/c21-16(19-6-5-12(11-19)13-9-17-18-10-13)20-7-8-22-15-4-2-1-3-14(15)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair