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BDBM50313298 (1R,5S)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octane-3,3-diol::CHEMBL1079975

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

InChI Key: InChIKey=XIYKXNLPFUZIOT-OKILXGFUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313298   
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


(Mus musculus (mouse))
BDBM50313298
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)(O)C2 |r|
Show InChI InChI=1S/C17H25NO4S/c1-16(2,3)12-4-8-15(9-5-12)23(21,22)18-13-6-7-14(18)11-17(19,20)10-13/h4-5,8-9,13-14,19-20H,6-7,10-11H2,1-3H3/t13-,14+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 138n/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))
BDBM50313298
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)(O)C2 |r|
Show InChI InChI=1S/C17H25NO4S/c1-16(2,3)12-4-8-15(9-5-12)23(21,22)18-13-6-7-14(18)11-17(19,20)10-13/h4-5,8-9,13-14,19-20H,6-7,10-11H2,1-3H3/t13-,14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/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