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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 = 'BDBM50112154'   
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))
BDBM50112154
PNG
(CHEMBL3608403)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50112154
PNG
(CHEMBL3608403)
Show SMILES CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C21H27Cl2N3O4S/c1-20(2,26-31(29,30)16-6-14(22)5-15(23)7-16)19(28)25-17-12-3-11-4-13(17)10-21(8-11,9-12)18(24)27/h5-7,11-13,17,26H,3-4,8-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17-,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Incheon National University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 25: 3501-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.099
BindingDB Entry DOI: 10.7270/Q2BP04KW
More data for this
Ligand-Target Pair