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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '2-Hydroxyacid oxidase 2' and Ligand = 'BDBM50382413'   
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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382413
PNG
(CHEMBL2022571)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cc2ccccc2s1
Show InChI InChI=1S/C14H12N2O2S/c1-8-11(13(14(17)18)16-15-8)7-10-6-9-4-2-3-5-12(9)19-10/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat His6-tagged Hao2 expressed in Escherichia coli BL21/DE3 using 2-hydroxyoctanoic acid as substrate measured every 10 secs by spectro...


ACS Med Chem Lett 2: 919-923 (2011)


Article DOI: 10.1021/ml2001938
BindingDB Entry DOI: 10.7270/Q2JM2BN6
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382413
PNG
(CHEMBL2022571)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cc2ccccc2s1
Show InChI InChI=1S/C14H12N2O2S/c1-8-11(13(14(17)18)16-15-8)7-10-6-9-4-2-3-5-12(9)19-10/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of rat Hao2-mediated oxidation of 2-hydroxyoctanoic acid assessed as proportionate release of H2O2


Bioorg Med Chem Lett 22: 4341-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.020
BindingDB Entry DOI: 10.7270/Q20866FZ
More data for this
Ligand-Target Pair