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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 = 'BDBM50193800'   
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))
BDBM50193800
PNG
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O
Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)
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PC cid
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Similars

Article
PubMed
190n/an/an/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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50193800
PNG
(4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...)
Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O
Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
250n/an/an/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