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BDBM50174291 3-(2-chloro-4-methoxyphenyl)-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::CHEMBL372946

SMILES: COc1ccc(-c2nnc(n2C)C23CCC(CC2)(CC3)c2nc(no2)-c2ccc(F)cc2)c(Cl)c1

InChI Key: InChIKey=BUJHRGYKELNZBE-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 = 50174291   
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))
BDBM50174291
PNG
(3-(2-chloro-4-methoxyphenyl)-5-(4-(3-(4-fluorophen...)
Show SMILES COc1ccc(-c2nnc(n2C)C23CCC(CC2)(CC3)c2nc(no2)-c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C26H25ClFN5O2/c1-33-22(19-8-7-18(34-2)15-20(19)27)30-31-23(33)25-9-12-26(13-10-25,14-11-25)24-29-21(32-35-24)16-3-5-17(28)6-4-16/h3-8,15H,9-14H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 22n/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))
BDBM50174291
PNG
(3-(2-chloro-4-methoxyphenyl)-5-(4-(3-(4-fluorophen...)
Show SMILES COc1ccc(-c2nnc(n2C)C23CCC(CC2)(CC3)c2nc(no2)-c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C26H25ClFN5O2/c1-33-22(19-8-7-18(34-2)15-20(19)27)30-31-23(33)25-9-12-26(13-10-25,14-11-25)24-29-21(32-35-24)16-3-5-17(28)6-4-16/h3-8,15H,9-14H2,1-2H3
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 12n/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