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BDBM50174300 3-(2-(difluoromethoxy)phenyl)-5-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicyclo[2.2.2]octan-1-yl)-4-methyl-4H-1,2,4-triazole::CHEMBL200816

SMILES: Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1OC(F)F

InChI Key: InChIKey=UEQOTLYIRXKYII-UHFFFAOYSA-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 = 50174300   
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))
BDBM50174300
PNG
(3-(2-(difluoromethoxy)phenyl)-5-(4-(3-(4-fluorophe...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1OC(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-34-21(18-4-2-3-5-19(18)35-24(28)29)31-32-22(34)25-10-13-26(14-11-25,15-12-25)23-30-20(33-36-23)16-6-8-17(27)9-7-16/h2-9,24H,10-15H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.30n/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


(Mus musculus (mouse))
BDBM50174300
PNG
(3-(2-(difluoromethoxy)phenyl)-5-(4-(3-(4-fluorophe...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1OC(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-34-21(18-4-2-3-5-19(18)35-24(28)29)31-32-22(34)25-10-13-26(14-11-25,15-12-25)23-30-20(33-36-23)16-6-8-17(27)9-7-16/h2-9,24H,10-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/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