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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 = 'BDBM50273859'   
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))
BDBM50273859
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1
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Article
PubMed
25n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273859
PNG
(2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCCC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair