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PDB code 3BZU

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

  (268/269 > 99%)
(Homo sapiens (Human))
BDBM13754
PNG
((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1
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MMDB
PDB
Article
PubMed
22n/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
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1

  (268/269 > 99%)
(Homo sapiens (Human))
BDBM13754
PNG
((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...)
Show SMILES C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1
PDB
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B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
22 -43.3n/an/an/an/an/a7.222



Amgen



Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det...


J Med Chem 50: 429-32 (2007)


Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH
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