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BDBM50340383 5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)bicyclo[2.2.2]octan-1-yl)pentan-2-ol::CHEMBL1761135

SMILES: CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12

InChI Key: InChIKey=OYOODXKCWJLXMH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50340383   
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))
BDBM50340383
PNG
(5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a...)
Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3O/c1-17(25)7-6-9-20-10-13-21(14-11-20,15-12-20)19-23-22-18-8-4-2-3-5-16-24(18)19/h17,25H,2-16H2,1H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50340383
PNG
(5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a...)
Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3O/c1-17(25)7-6-9-20-10-13-21(14-11-20,15-12-20)19-23-22-18-8-4-2-3-5-16-24(18)19/h17,25H,2-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50340383
PNG
(5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a...)
Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3O/c1-17(25)7-6-9-20-10-13-21(14-11-20,15-12-20)19-23-22-18-8-4-2-3-5-16-24(18)19/h17,25H,2-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50340383
PNG
(5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a...)
Show SMILES CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C21H35N3O/c1-17(25)7-6-9-20-10-13-21(14-11-20,15-12-20)19-23-22-18-8-4-2-3-5-16-24(18)19/h17,25H,2-16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair