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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 = 'BDBM50331346'   
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))
BDBM50331346
PNG
(CHEMBL1290389 | rac-1,1,1-trifluoro-2-(4-(4'-fluor...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F4O3S/c1-20(26,21(23,24)25)15-8-12-17(13-9-15)29(27,28)19-5-3-2-4-18(19)14-6-10-16(22)11-7-14/h2-13,26H,1H3
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50331346
PNG
(CHEMBL1290389 | rac-1,1,1-trifluoro-2-(4-(4'-fluor...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16F4O3S/c1-20(26,21(23,24)25)15-8-12-17(13-9-15)29(27,28)19-5-3-2-4-18(19)14-6-10-16(22)11-7-14/h2-13,26H,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 2.41E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair