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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 = 'BDBM50335195'   
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))
BDBM50335195
PNG
(3-Acetyl-2-oxo-2H-chromen-7-yl trifluoromethanesul...)
Show SMILES CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O
Show InChI InChI=1S/C12H7F3O6S/c1-6(16)9-4-7-2-3-8(5-10(7)20-11(9)17)21-22(18,19)12(13,14)15/h2-5H,1H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
173n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50335195
PNG
(3-Acetyl-2-oxo-2H-chromen-7-yl trifluoromethanesul...)
Show SMILES CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O
Show InChI InChI=1S/C12H7F3O6S/c1-6(16)9-4-7-2-3-8(5-10(7)20-11(9)17)21-22(18,19)12(13,14)15/h2-5H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair