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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 = 'BDBM50249110'   
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))
BDBM50249110
PNG
(4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-...)
Show SMILES CCCCOc1ccc(cc1C)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,25-26H,4-5,15,18H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.48E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50249110
PNG
(4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(pyridin-...)
Show SMILES CCCCOc1ccc(cc1C)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,25-26H,4-5,15,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in...


Eur J Med Chem 44: 1167-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.005
BindingDB Entry DOI: 10.7270/Q2251J0Z
More data for this
Ligand-Target Pair