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BDBM50385050 CHEMBL2035417

SMILES: CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl

InChI Key: InChIKey=ILDONSNQTLXRPU-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50385050   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50385050
PNG
(CHEMBL2035417)
Show SMILES CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl
Show InChI InChI=1S/C20H22ClF3N2O4S/c1-12(2)26(16-8-5-14(6-9-16)19(4,28)20(22,23)24)31(29,30)18-11-15(25-13(3)27)7-10-17(18)21/h5-12,28H,1-4H3,(H,25,27)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in human HEK293 cells using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintilla...


Bioorg Med Chem Lett 22: 3786-90 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.005
BindingDB Entry DOI: 10.7270/Q21V5G07
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50385050
PNG
(CHEMBL2035417)
Show SMILES CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl
Show InChI InChI=1S/C20H22ClF3N2O4S/c1-12(2)26(16-8-5-14(6-9-16)19(4,28)20(22,23)24)31(29,30)18-11-15(25-13(3)27)7-10-17(18)21/h5-12,28H,1-4H3,(H,25,27)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 256n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 22: 3786-90 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.005
BindingDB Entry DOI: 10.7270/Q21V5G07
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50385050
PNG
(CHEMBL2035417)
Show SMILES CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl
Show InChI InChI=1S/C20H22ClF3N2O4S/c1-12(2)26(16-8-5-14(6-9-16)19(4,28)20(22,23)24)31(29,30)18-11-15(25-13(3)27)7-10-17(18)21/h5-12,28H,1-4H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 498n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in human HEK293 cells using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintilla...


Bioorg Med Chem Lett 22: 3786-90 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.005
BindingDB Entry DOI: 10.7270/Q21V5G07
More data for this
Ligand-Target Pair