BindingDB logo
myBDB logout

BDBM50174279 3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine::CHEMBL372768

SMILES: Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12

InChI Key: InChIKey=YWNBNSZDPNFYMX-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 = 50174279   
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))
BDBM50174279
PNG
(3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C24H28ClN5O/c25-18-8-6-17(7-9-18)20-26-22(31-29-20)24-13-10-23(11-14-24,12-15-24)21-28-27-19-5-3-1-2-4-16-30(19)21/h6-9H,1-5,10-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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 2


(Homo sapiens (Human))
BDBM50174279
PNG
(3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C24H28ClN5O/c25-18-8-6-17(7-9-18)20-26-22(31-29-20)24-13-10-23(11-14-24,12-15-24)21-28-27-19-5-3-1-2-4-16-30(19)21/h6-9H,1-5,10-16H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 228n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against human 11beta-HSD2


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 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50174279
PNG
(3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C24H28ClN5O/c25-18-8-6-17(7-9-18)20-26-22(31-29-20)24-13-10-23(11-14-24,12-15-24)21-28-27-19-5-3-1-2-4-16-30(19)21/h6-9H,1-5,10-16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse 11beta-HSD2


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))
BDBM50174279
PNG
(3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C24H28ClN5O/c25-18-8-6-17(7-9-18)20-26-22(31-29-20)24-13-10-23(11-14-24,12-15-24)21-28-27-19-5-3-1-2-4-16-30(19)21/h6-9H,1-5,10-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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