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PDB code 3EY4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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

  (267/274 = 97%)
(Homo sapiens (human))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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PDB
Article
PubMed
35n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1

  (267/274 = 97%)
(Homo sapiens (human))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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PC sid
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UniChem

Patents


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MMDB
PDB
Article
PubMed
n/an/a 34n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output