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Compile Data Set for Download or QSAR

Found 44 hits of ic50 data for polymerid = 50006049   
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)
BDBM50396202
PNG
(CHEMBL2172039)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O3/c1-11-16(17(19(24)25)22-21-11)10-12-3-2-4-15(9-12)13-5-7-14(8-6-13)18(20)23/h2-9H,10H2,1H3,(H2,20,23)(H,21,22)(H,24,25)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396218
PNG
(CHEMBL2172167)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(F)c1
Show InChI InChI=1S/C12H11FN2O2/c1-7-10(11(12(16)17)15-14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396195
PNG
(CHEMBL2172048)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc2ccccc12
Show InChI InChI=1S/C16H14N2O2/c1-10-14(15(16(19)20)18-17-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396192
PNG
(CHEMBL2172051)
Show SMILES CCc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O2/c1-2-17-16(18(19(23)24)22-21-17)11-12-4-3-5-14(10-12)13-6-8-15(20)9-7-13/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
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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
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)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382412
PNG
(CHEMBL2022570)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382412
PNG
(CHEMBL2022570)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
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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)
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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)
BDBM50396205
PNG
(CHEMBL2172036)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c1-11-16(17(18(25)26)24-23-11)10-12-3-2-4-14(9-12)13-5-7-15(8-6-13)27-19(20,21)22/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396203
PNG
(CHEMBL2172038)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H15N3O2/c1-12-17(18(19(23)24)22-21-12)10-14-3-2-4-16(9-14)15-7-5-13(11-20)6-8-15/h2-9H,10H2,1H3,(H,21,22)(H,23,24)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396217
PNG
(CHEMBL2172169)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-7-10(11(12(19)20)18-17-7)6-8-3-2-4-9(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396198
PNG
(CHEMBL2172043)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C17H15N3O2/c1-11-15(16(17(21)22)20-19-11)10-12-3-2-4-14(9-12)13-5-7-18-8-6-13/h2-9H,10H2,1H3,(H,19,20)(H,21,22)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396210
PNG
(CHEMBL2172030)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396200
PNG
(CHEMBL2172041)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C20H18N2O4/c1-12-17(19(20(25)26)22-21-12)10-14-3-2-4-16(9-14)15-7-5-13(6-8-15)11-18(23)24/h2-9H,10-11H2,1H3,(H,21,22)(H,23,24)(H,25,26)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396199
PNG
(CHEMBL2172042)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C17H15N3O2/c1-11-15(16(17(21)22)20-19-11)9-12-4-2-5-13(8-12)14-6-3-7-18-10-14/h2-8,10H,9H2,1H3,(H,19,20)(H,21,22)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396207
PNG
(CHEMBL2172034)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c1-11-16(17(18(25)26)24-23-11)10-12-3-2-4-14(9-12)13-5-7-15(8-6-13)19(20,21)22/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396197
PNG
(CHEMBL2172044)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O3/c1-12-16(17(18(21)22)20-19-12)11-13-7-9-15(10-8-13)23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396209
PNG
(CHEMBL2172032)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1cccc(F)c1
Show InChI InChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)9-12-4-2-5-13(8-12)14-6-3-7-15(19)10-14/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396213
PNG
(CHEMBL2172174)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H11N3O2/c1-8-11(12(13(17)18)16-15-8)6-9-3-2-4-10(5-9)7-14/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396191
PNG
(CHEMBL2172052)
Show SMILES CC(C)c1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O2/c1-12(2)18-17(19(20(24)25)23-22-18)11-13-4-3-5-15(10-13)14-6-8-16(21)9-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)(H,24,25)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396196
PNG
(CHEMBL2172045)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O3/c1-12-16(17(18(21)22)20-19-12)11-13-6-5-9-15(10-13)23-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
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n/an/a 600n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396219
PNG
(CHEMBL2172059)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(F)cc1
Show InChI InChI=1S/C12H11FN2O2/c1-7-10(11(12(16)17)15-14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 700n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396188
PNG
(CHEMBL2172055)
Show SMILES OC(=O)c1n[nH]c(Cc2ccccc2)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O2/c25-20-11-9-18(10-12-20)19-8-4-7-17(13-19)14-21-22(26-27-23(21)24(28)29)15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,26,27)(H,28,29)
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n/an/a 700n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396214
PNG
(CHEMBL2172172)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C13H11F3N2O3/c1-7-10(11(12(19)20)18-17-7)6-8-3-2-4-9(5-8)21-13(14,15)16/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
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n/an/a 700n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396187
PNG
(CHEMBL2172056)
Show SMILES OC(=O)c1n[nH]c(CCc2ccccc2)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O2/c26-21-12-10-19(11-13-21)20-8-4-7-18(15-20)16-22-23(27-28-24(22)25(29)30)14-9-17-5-2-1-3-6-17/h1-8,10-13,15H,9,14,16H2,(H,27,28)(H,29,30)
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n/an/a 800n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396220
PNG
(CHEMBL2172181)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22-21-12)10-5-13-3-2-4-15(11-13)14-6-8-16(20)9-7-14/h2-4,6-9,11H,5,10H2,1H3,(H,21,22)(H,23,24)
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n/an/a 900n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396211
PNG
(CHEMBL2172176)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H13N3O3/c1-7-10(11(13(18)19)16-15-7)6-8-3-2-4-9(5-8)12(14)17/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)(H,18,19)
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n/an/a 900n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396208
PNG
(CHEMBL2172033)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccccc1F
Show InChI InChI=1S/C18H15FN2O2/c1-11-15(17(18(22)23)21-20-11)10-12-5-4-6-13(9-12)14-7-2-3-8-16(14)19/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
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n/an/a 900n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396221
PNG
(CHEMBL2172180)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O2/c1-12-17(18(19(23)24)22-21-12)11-4-13-2-5-14(6-3-13)15-7-9-16(20)10-8-15/h2-3,5-10H,4,11H2,1H3,(H,21,22)(H,23,24)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382410
PNG
(CHEMBL2022568)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13-17(18(19(22)23)21-20-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11H,9,12H2,1H3,(H,20,21)(H,22,23)
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n/an/a 910n/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)
BDBM50382410
PNG
(CHEMBL2022568)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13-17(18(19(22)23)21-20-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11H,9,12H2,1H3,(H,20,21)(H,22,23)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396194
PNG
(CHEMBL2172049)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C16H14N2O2/c1-10-14(15(16(19)20)18-17-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
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n/an/a 1.10E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396201
PNG
(CHEMBL2172040)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H16N2O4/c1-11-16(17(19(24)25)21-20-11)10-12-3-2-4-15(9-12)13-5-7-14(8-6-13)18(22)23/h2-9H,10H2,1H3,(H,20,21)(H,22,23)(H,24,25)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396206
PNG
(CHEMBL2172035)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c1-11-16(17(18(25)26)24-23-11)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396212
PNG
(CHEMBL2172175)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C13H13N3O3/c1-7-10(11(13(18)19)16-15-7)6-8-2-4-9(5-3-8)12(14)17/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)(H,18,19)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396190
PNG
(CHEMBL2172053)
Show SMILES CCOc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O3/c1-2-25-18-16(17(19(23)24)21-22-18)11-12-4-3-5-14(10-12)13-6-8-15(20)9-7-13/h3-10H,2,11H2,1H3,(H,21,22)(H,23,24)
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n/an/a 1.20E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396216
PNG
(CHEMBL2172170)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-7-9(11(12(19)20)18-17-7)6-8-4-2-3-5-10(8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
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n/an/a 1.30E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396215
PNG
(CHEMBL2172171)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H11F3N2O3/c1-7-10(11(12(19)20)18-17-7)6-8-2-4-9(5-3-8)21-13(14,15)16/h2-5H,6H2,1H3,(H,17,18)(H,19,20)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396186
PNG
(CHEMBL2172025)
Show SMILES Cc1[nH]nc(C(N)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O/c1-11-16(17(18(20)23)22-21-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H2,20,23)(H,21,22)
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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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396193
PNG
(CHEMBL2172050)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C15H13N3O2/c1-9-12(14(15(19)20)18-17-9)8-11-7-6-10-4-2-3-5-13(10)16-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
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n/an/a 1.70E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396189
PNG
(CHEMBL2172054)
Show SMILES OC(=O)c1[nH]nc(c1Cc1cccc(c1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H17FN2O2/c24-19-11-9-16(10-12-19)18-8-4-5-15(13-18)14-20-21(17-6-2-1-3-7-17)25-26-22(20)23(27)28/h1-13H,14H2,(H,25,26)(H,27,28)
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n/an/a 1.80E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50396204
PNG
(CHEMBL2172037)
Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O3/c1-11-16(17(18(25)26)24-23-11)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)27-19(20,21)22/h2-9H,10H2,1H3,(H,23,24)(H,25,26)
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n/an/a 2.00E+3n/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
2-Hydroxyacid oxidase 2


(Rattus norvegicus)
BDBM50382411
PNG
(CHEMBL2022569)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1ccccc1
Show InChI InChI=1S/C13H14N2O2/c1-9-11(12(13(16)17)15-14-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17)
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n/an/a 4.27E+3n/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)
BDBM50382411
PNG
(CHEMBL2022569)
Show SMILES Cc1[nH]nc(C(O)=O)c1CCc1ccccc1
Show InChI InChI=1S/C13H14N2O2/c1-9-11(12(13(16)17)15-14-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.27E+3n/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