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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 186.2
BDBM34125
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Oryctolagus cuniculus)
BDBM34125
PNG
(2-Phenylhydroquinone, 7 | hydroquinone derivative,...)
Show SMILES Oc1ccc(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.29E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)


Article DOI: 10.1016/j.bmc.2008.12.010
BindingDB Entry DOI: 10.7270/Q2WD3XX7
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM34125
PNG
(2-Phenylhydroquinone, 7 | hydroquinone derivative,...)
Show SMILES Oc1ccc(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.48E+4n/an/an/an/a7.4537



Cardiff University



Assay Description
Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.


J Enzym Inhib 16: 35-45 (2001)


Article DOI: 10.1080/14756360109162353
BindingDB Entry DOI: 10.7270/Q2SX6BRB
More data for this
Ligand-Target Pair