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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50426487'   
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))
BDBM50426487
PNG
(CHEMBL2322708)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@](C)(O)C(F)(F)F)c1ccc(cc1C(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C20H21F6N3O4S2/c1-11-10-28(14-4-3-12(17(27)30)9-13(14)19(21,22)23)7-8-29(11)35(32,33)16-6-5-15(34-16)18(2,31)20(24,25)26/h3-6,9,11,31H,7-8,10H2,1-2H3,(H2,27,30)/t11-,18+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 1...


ACS Med Chem Lett 4: 118-23 (2013)


Article DOI: 10.1021/ml300352x
BindingDB Entry DOI: 10.7270/Q25B03TM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50426487
PNG
(CHEMBL2322708)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@](C)(O)C(F)(F)F)c1ccc(cc1C(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C20H21F6N3O4S2/c1-11-10-28(14-4-3-12(17(27)30)9-13(14)19(21,22)23)7-8-29(11)35(32,33)16-6-5-15(34-16)18(2,31)20(24,25)26/h3-6,9,11,31H,7-8,10H2,1-2H3,(H2,27,30)/t11-,18+/m1/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 1...


ACS Med Chem Lett 4: 118-23 (2013)


Article DOI: 10.1021/ml300352x
BindingDB Entry DOI: 10.7270/Q25B03TM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50426487
PNG
(CHEMBL2322708)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@](C)(O)C(F)(F)F)c1ccc(cc1C(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C20H21F6N3O4S2/c1-11-10-28(14-4-3-12(17(27)30)9-13(14)19(21,22)23)7-8-29(11)35(32,33)16-6-5-15(34-16)18(2,31)20(24,25)26/h3-6,9,11,31H,7-8,10H2,1-2H3,(H2,27,30)/t11-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 1...


ACS Med Chem Lett 4: 118-23 (2013)


Article DOI: 10.1021/ml300352x
BindingDB Entry DOI: 10.7270/Q25B03TM
More data for this
Ligand-Target Pair