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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 = 'BDBM50313285'   
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))
BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
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Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313285
PNG
((1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O2S/c1-16(2,3)12-5-7-15(8-6-12)21(19,20)18-11-13-9-14(18)10-17(13)4/h5-8,13-14H,9-11H2,1-4H3/t13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair