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BDBM50313300 (1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol::CHEMBL1080315

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2

InChI Key: InChIKey=DJLICOBFOFJIQN-YIONKMFJSA-N

Data: 4 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 4 hits for monomerid = 50313300   
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))
BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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PC sid
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
PDB
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50313300
PNG
((1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicycl...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
Show InChI InChI=1S/C17H25NO3S/c1-17(2,3)12-4-8-16(9-5-12)22(20,21)18-13-6-7-14(18)11-15(19)10-13/h4-5,8-9,13-15,19H,6-7,10-11H2,1-3H3/t13-,14+,15?
PDB
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Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1551-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.082
BindingDB Entry DOI: 10.7270/Q2NV9JC3
More data for this
Ligand-Target Pair