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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 = 'BDBM50248520'   
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))
BDBM50248520
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-9-13-29-14-10-21)15-16-31(19)35(33,34)22-7-5-20(6-8-22)23(2,32)25(26,27)28/h5-10,13-14,19,32H,3-4,11-12,15-18H2,1-2H3/t19-,23?/m1/s1
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Article
PubMed
n/an/a 0.800n/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))
BDBM50248520
PNG
(1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-...)
Show SMILES C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-9-13-29-14-10-21)15-16-31(19)35(33,34)22-7-5-20(6-8-22)23(2,32)25(26,27)28/h5-10,13-14,19,32H,3-4,11-12,15-18H2,1-2H3/t19-,23?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 35n/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