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BDBM50313307 (1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-one O-benzyl oxime::CHEMBL1080557

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1

InChI Key: InChIKey=NNQZXUXKOLWKBN-LINBVKNMSA-N

Data: 2 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 2 hits for monomerid = 50313307   
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))
BDBM50313307
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1 |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C24H30N2O3S/c1-24(2,3)19-9-13-23(14-10-19)30(27,28)26-21-11-12-22(26)16-20(15-21)25-29-17-18-7-5-4-6-8-18/h4-10,13-14,21-22H,11-12,15-17H2,1-3H3/b25-20-/t21-,22+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 989n/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))
BDBM50313307
PNG
((1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicy...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1 |r,THB:21:19:13:16.15|
Show InChI InChI=1S/C24H30N2O3S/c1-24(2,3)19-9-13-23(14-10-19)30(27,28)26-21-11-12-22(26)16-20(15-21)25-29-17-18-7-5-4-6-8-18/h4-10,13-14,21-22H,11-12,15-17H2,1-3H3/b25-20-/t21-,22+/m1/s1
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 159n/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