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BDBM50385037 CHEMBL2035600

SMILES: CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl

InChI Key: InChIKey=FWZMNCSXFIPFQX-KRWDZBQOSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50385037   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
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n/an/a 21n/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
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n/an/a 3.10n/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
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n/an/a 1.40n/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
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n/an/a 54n/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
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Article
PubMed
n/an/a 2.20n/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))
BDBM50385037
PNG
(CHEMBL2035600)
Show SMILES CC(C)N(c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m0/s1
PDB
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Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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