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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 = 'BDBM50249083'   
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))
BDBM50249083
PNG
(CHEMBL473992 | N-Adamantan-1-yl-3-{[2-(4-bromo-3-m...)
Show SMILES CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 |w:16.19,TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
Show InChI InChI=1S/C23H30BrN3O3/c1-14-5-19(3-4-20(14)24)30-13-22(29)27-26-15(2)6-21(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-5,16-18H,6-13H2,1-2H3,(H,25,28)(H,27,29)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.55E+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))
BDBM50249083
PNG
(CHEMBL473992 | N-Adamantan-1-yl-3-{[2-(4-bromo-3-m...)
Show SMILES CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 |w:16.19,TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
Show InChI InChI=1S/C23H30BrN3O3/c1-14-5-19(3-4-20(14)24)30-13-22(29)27-26-15(2)6-21(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-5,16-18H,6-13H2,1-2H3,(H,25,28)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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