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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 = 'BDBM50216922'   
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))
BDBM50216922
PNG
(5-isopropyl-5-methyl-2-[(S)-1-(2-trifluoromethyl-p...)
Show SMILES CC(C)C1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20|
Show InChI InChI=1S/C16H19F3N2O2/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
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PC cid
PC sid
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Article
PubMed
46n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Binding affinity to human 11beta-HSD1 by SPA assay


Bioorg Med Chem Lett 17: 4837-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50216922
PNG
(5-isopropyl-5-methyl-2-[(S)-1-(2-trifluoromethyl-p...)
Show SMILES CC(C)C1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20|
Show InChI InChI=1S/C16H19F3N2O2/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human adipocytes


Bioorg Med Chem Lett 17: 4837-40 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.054
BindingDB Entry DOI: 10.7270/Q2MP52ZC
More data for this
Ligand-Target Pair