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BDBM50174289 3-(4-(3-(cyclopropylmethyl)-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::CHEMBL200365

SMILES: C(C1CC1)c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12

InChI Key: InChIKey=BXRXOYXFCQSGFT-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 = 50174289   
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 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50174289
PNG
(3-(4-(3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)b...)
Show SMILES C(C1CC1)c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C22H31N5O/c1-2-4-14-27-18(5-3-1)24-25-19(27)21-8-11-22(12-9-21,13-10-21)20-23-17(26-28-20)15-16-6-7-16/h16H,1-15H2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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


(Homo sapiens (Human))
BDBM50174289
PNG
(3-(4-(3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)b...)
Show SMILES C(C1CC1)c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show InChI InChI=1S/C22H31N5O/c1-2-4-14-27-18(5-3-1)24-25-19(27)21-8-11-22(12-9-21,13-10-21)20-23-17(26-28-20)15-16-6-7-16/h16H,1-15H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/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