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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 = 'BDBM50297916'   
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))
BDBM50297916
PNG
(2-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-ca...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C20H23ClN2O4S/c1-14-12-23(13-15(2)27-14)20(24)17-9-7-16(8-10-17)11-22-28(25,26)19-6-4-3-5-18(19)21/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50297916
PNG
(2-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-ca...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C20H23ClN2O4S/c1-14-12-23(13-15(2)27-14)20(24)17-9-7-16(8-10-17)11-22-28(25,26)19-6-4-3-5-18(19)21/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.84E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair