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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50249082'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50249082
PNG
(4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hyd...)
Show SMILES Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1
Show InChI InChI=1S/C29H20FN3O4S2/c1-16-10-12-17(13-11-16)15-38-29-32-31-28(39-29)33-24(19-7-3-4-8-20(19)30)23(26(35)27(33)36)25(34)22-14-18-6-2-5-9-21(18)37-22/h2-14,23-24H,15H2,1H3
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PC cid
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Article
PubMed
n/an/a 1.73E+3n/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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50249082
PNG
(4-(benzofuran-2-carbonyl)-5-(2-fluorophenyl)-3-hyd...)
Show SMILES Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1
Show InChI InChI=1S/C29H20FN3O4S2/c1-16-10-12-17(13-11-16)15-38-29-32-31-28(39-29)33-24(19-7-3-4-8-20(19)30)23(26(35)27(33)36)25(34)22-14-18-6-2-5-9-21(18)37-22/h2-14,23-24H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/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