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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 = 'BDBM50248427'   
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))
BDBM50248427
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-3...)
Show SMILES C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(11-9-17-4-3-10-25-14-17)12-13-27(16)31(29,30)19-7-5-18(6-8-19)20(2,28)21(22,23)24/h3-8,10,14,16,28H,9,11-13,15H2,1-2H3/t16-,20?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]co...


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248427
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-3...)
Show SMILES C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N3O3S/c1-16-15-26(11-9-17-4-3-10-25-14-17)12-13-27(16)31(29,30)19-7-5-18(6-8-19)20(2,28)21(22,23)24/h3-8,10,14,16,28H,9,11-13,15H2,1-2H3/t16-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH


Bioorg Med Chem Lett 19: 1522-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.114
BindingDB Entry DOI: 10.7270/Q2QC03BN
More data for this
Ligand-Target Pair