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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 = 'BDBM50193798'   
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))
BDBM50193798
PNG
(6-((1-cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nic...)
Show SMILES O=C1CC(COc2ccc(cn2)C#N)CN1C1CCCCCC1
Show InChI InChI=1S/C18H23N3O2/c19-10-14-7-8-17(20-11-14)23-13-15-9-18(22)21(12-15)16-5-3-1-2-4-6-16/h7-8,11,15-16H,1-6,9,12-13H2
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50193798
PNG
(6-((1-cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nic...)
Show SMILES O=C1CC(COc2ccc(cn2)C#N)CN1C1CCCCCC1
Show InChI InChI=1S/C18H23N3O2/c19-10-14-7-8-17(20-11-14)23-13-15-9-18(22)21(12-15)16-5-3-1-2-4-6-16/h7-8,11,15-16H,1-6,9,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5555-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.034
BindingDB Entry DOI: 10.7270/Q25X28K5
More data for this
Ligand-Target Pair