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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 = 'BDBM50382829'   
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))
BDBM50382829
PNG
(CHEMBL2023425)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)S(=O)(=O)c2c1 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
Show InChI InChI=1S/C25H26ClN3O4S/c26-20-5-6-21-22(10-20)34(32,33)29(24(31)27-21)14-15-1-3-19(4-2-15)23(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18H,7-9,11-14H2,(H,27,31)(H,28,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 14n/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))
BDBM50382829
PNG
(CHEMBL2023425)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)S(=O)(=O)c2c1 |TLB:22:23:20.21.26:27,THB:22:21:27:28.23.24,24:23:20:26.25.27,24:25:20:28.22.23|
Show InChI InChI=1S/C25H26ClN3O4S/c26-20-5-6-21-22(10-20)34(32,33)29(24(31)27-21)14-15-1-3-19(4-2-15)23(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18H,7-9,11-14H2,(H,27,31)(H,28,30)
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 47n/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