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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 = 'BDBM50382821'   
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))
BDBM50382821
PNG
(CHEMBL2023586)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H33ClN4O4S/c25-18-7-10-21-22(15-18)34(32,33)28(23(30)26-21)16-17-11-13-27(14-12-17)24(31)29(20-8-9-20)19-5-3-1-2-4-6-19/h7,10,15,17,19-20H,1-6,8-9,11-14,16H2,(H,26,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 517n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382821
PNG
(CHEMBL2023586)
Show SMILES Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H33ClN4O4S/c25-18-7-10-21-22(15-18)34(32,33)28(23(30)26-21)16-17-11-13-27(14-12-17)24(31)29(20-8-9-20)19-5-3-1-2-4-6-19/h7,10,15,17,19-20H,1-6,8-9,11-14,16H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair