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BDBM50174287 1-methyl-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazol-3-yl)pyridin-2(1H)-one::CHEMBL371262

SMILES: Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F

InChI Key: InChIKey=DWGDPMJWUWVHLQ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50174287   
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))
BDBM50174287
PNG
(1-methyl-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)p...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c1-34-15-16(7-8-19(34)36)20-30-23(37-33-20)25-12-9-24(10-13-25,11-14-25)22-32-31-21(35(22)2)17-5-3-4-6-18(17)26(27,28)29/h3-8,15H,9-14H2,1-2H3
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PC sid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against human 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50174287
PNG
(1-methyl-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)p...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c1-34-15-16(7-8-19(34)36)20-30-23(37-33-20)25-12-9-24(10-13-25,11-14-25)22-32-31-21(35(22)2)17-5-3-4-6-18(17)26(27,28)29/h3-8,15H,9-14H2,1-2H3
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Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1


Bioorg Med Chem Lett 18: 2479-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.042
BindingDB Entry DOI: 10.7270/Q2QC04Q0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50174287
PNG
(1-methyl-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)p...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c1-34-15-16(7-8-19(34)36)20-30-23(37-33-20)25-12-9-24(10-13-25,11-14-25)22-32-31-21(35(22)2)17-5-3-4-6-18(17)26(27,28)29/h3-8,15H,9-14H2,1-2H3
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PC sid
UniChem

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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse 11beta-HSD1


Bioorg Med Chem Lett 15: 5266-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M
More data for this
Ligand-Target Pair