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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 = 'BDBM50382823'   
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


(Mus musculus (mouse))
BDBM50382823
PNG
(CHEMBL2023420)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C21H22ClN3O4S/c22-16-10-11-18-19(12-16)30(28,29)25(21(27)24-18)13-14-6-8-15(9-7-14)20(26)23-17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H,23,26)(H,24,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 529n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382823
PNG
(CHEMBL2023420)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C21H22ClN3O4S/c22-16-10-11-18-19(12-16)30(28,29)25(21(27)24-18)13-14-6-8-15(9-7-14)20(26)23-17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H,23,26)(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 686n/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