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BDBM50340432 (4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)methanone::CHEMBL1761843

SMILES: CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1

InChI Key: InChIKey=IKCNXAIMXSHWAH-UHFFFAOYSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 50340432   
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))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabelled-cortisone to cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50340432
PNG
((4-(1H-imidazol-4-yl)piperidin-1-yl)(3-methyl-2H-b...)
Show SMILES CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C18H22N4O2/c1-13-11-24-17-5-3-2-4-16(17)22(13)18(23)21-8-6-14(7-9-21)15-10-19-12-20-15/h2-5,10,12-14H,6-9,11H2,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>10n/an/an/an/an/an/a



Sanofi-aventis R&D,

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD2


Bioorg Med Chem Lett 21: 2244-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.111
BindingDB Entry DOI: 10.7270/Q26H4HQS
More data for this
Ligand-Target Pair