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SMILES: CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O

InChI Key: InChIKey=KUEKSTOVOGPIFY-UTLUCORTSA-N

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 = 50319660   
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))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
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Article
PubMed
12.2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
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Article
PubMed
329n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
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PubMed
n/an/a 15.3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50319660
PNG
((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...)
Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 885n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay


J Med Chem 53: 4481-7 (2010)


Article DOI: 10.1021/jm100242d
BindingDB Entry DOI: 10.7270/Q2WW7HVQ
More data for this
Ligand-Target Pair