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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 = 'BDBM50340436'   
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))
BDBM50340436
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(pyridin-3-yl)pip...)
Show SMILES O=C(N1CCC(CC1)c1cccnc1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
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PC cid
PC sid
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Article
PubMed
n/an/a 66n/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))
BDBM50340436
PNG
((3,4-dihydroquinolin-1(2H)-yl)(4-(pyridin-3-yl)pip...)
Show SMILES O=C(N1CCC(CC1)c1cccnc1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 73n/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