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BDBM50249527 CHEMBL470533::ethyl 5-(2,5-dimethylphenylsulfonamido)-2-propylbenzofuran-3-carboxylate

SMILES: CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC

InChI Key: InChIKey=JYXFTAMWZQRAMQ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249527   
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))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249527
PNG
(CHEMBL470533 | ethyl 5-(2,5-dimethylphenylsulfonam...)
Show SMILES CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
Show InChI InChI=1S/C22H25NO5S/c1-5-7-19-21(22(24)27-6-2)17-13-16(10-11-18(17)28-19)23-29(25,26)20-12-14(3)8-9-15(20)4/h8-13,23H,5-7H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair