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BDBM50313295 (1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate::CHEMBL1081298

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

InChI Key: InChIKey=ITNAVXKZRXMAMT-CALCHBBNSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313295   
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))
BDBM50313295
PNG
((1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:15:13:7:10.9|
Show InChI InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3/t16-,17+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 692n/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))
BDBM50313295
PNG
((1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-...)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:15:13:7:10.9|
Show InChI InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3/t16-,17+
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 309n/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