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BDBM50174293 3-(2-chlorophenyl)-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::CHEMBL200180

SMILES: Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1Cl

InChI Key: InChIKey=WWURWSMPPMGWSQ-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 = 50174293   
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))
BDBM50174293
PNG
(3-(2-chlorophenyl)-5-(4-(3-(4-fluorophenyl)-1,2,4-...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H23ClFN5O/c1-32-21(18-4-2-3-5-19(18)26)29-30-22(32)24-10-13-25(14-11-24,15-12-24)23-28-20(31-33-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.10n/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))
BDBM50174293
PNG
(3-(2-chlorophenyl)-5-(4-(3-(4-fluorophenyl)-1,2,4-...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H23ClFN5O/c1-32-21(18-4-2-3-5-19(18)26)29-30-22(32)24-10-13-25(14-11-24,15-12-24)23-28-20(31-33-23)16-6-8-17(27)9-7-16/h2-9H,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 3.20n/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