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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'khanum' and Initial = 'sa'   
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333138
PNG
(2-((4-methoxyphenoxy)methyl)-7-methyl-5H-[1,3,4]th...)
Show SMILES COc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O3S/c1-9-7-13(18)17-14(15-9)21-12(16-17)8-20-11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3
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n/an/a 269n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333138
PNG
(2-((4-methoxyphenoxy)methyl)-7-methyl-5H-[1,3,4]th...)
Show SMILES COc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O3S/c1-9-7-13(18)17-14(15-9)21-12(16-17)8-20-11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3
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n/an/a 289n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333141
PNG
(7-methyl-2-(o-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3C)sc2n1
Show InChI InChI=1S/C14H13N3O2S/c1-9-5-3-4-6-11(9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 326n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333141
PNG
(7-methyl-2-(o-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3C)sc2n1
Show InChI InChI=1S/C14H13N3O2S/c1-9-5-3-4-6-11(9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 362n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333140
PNG
(2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 413n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333139
PNG
(2-((4-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)cc3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
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n/an/a 449n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333139
PNG
(2-((4-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)cc3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
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n/an/a 461n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333137
PNG
(7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3)sc2n1
Show InChI InChI=1S/C13H11N3O2S/c1-9-7-12(17)16-13(14-9)19-11(15-16)8-18-10-5-3-2-4-6-10/h2-7H,8H2,1H3
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n/an/a 555n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333147
PNG
(2-((2-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3F)sc2n1
Show InChI InChI=1S/C13H10FN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 590n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333140
PNG
(2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Br)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 603n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333143
PNG
(2-((4-chloro-3-methylphenoxy)methyl)-7-methyl-5H-[...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1
Show InChI InChI=1S/C14H12ClN3O2S/c1-8-5-10(3-4-11(8)15)20-7-12-17-18-13(19)6-9(2)16-14(18)21-12/h3-6H,7H2,1-2H3
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n/an/a 623n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333143
PNG
(2-((4-chloro-3-methylphenoxy)methyl)-7-methyl-5H-[...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1
Show InChI InChI=1S/C14H12ClN3O2S/c1-8-5-10(3-4-11(8)15)20-7-12-17-18-13(19)6-9(2)16-14(18)21-12/h3-6H,7H2,1-2H3
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n/an/a 634n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 730n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 753n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333133
PNG
(7-methyl-2-(p-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)cc1
Show InChI InChI=1S/C14H13N3O2S/c1-9-3-5-11(6-4-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333144
PNG
(7-methyl-2-(m-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cccc(OCc2nn3c(nc(C)cc3=O)s2)c1
Show InChI InChI=1S/C14H13N3O2S/c1-9-4-3-5-11(6-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333144
PNG
(7-methyl-2-(m-tolyloxymethyl)-5H-[1,3,4]thiadiazol...)
Show SMILES Cc1cccc(OCc2nn3c(nc(C)cc3=O)s2)c1
Show InChI InChI=1S/C14H13N3O2S/c1-9-4-3-5-11(6-9)19-8-12-16-17-13(18)7-10(2)15-14(17)20-12/h3-7H,8H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333142
PNG
(2-((2-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Cl)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333142
PNG
(2-((2-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3ccccc3Cl)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-6-12(18)17-13(15-8)20-11(16-17)7-19-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333136
PNG
(2-((3-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(F)c3)sc2n1
Show InChI InChI=1S/C13H10FN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169761
PNG
(2-(3-chlorobenzoyl)-4-methylphenyl 3-chlorobenzoat...)
Show SMILES Cc1ccc(OC(=O)c2cccc(Cl)c2)c(c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2O3/c1-13-8-9-19(26-21(25)15-5-3-7-17(23)12-15)18(10-13)20(24)14-4-2-6-16(22)11-14/h2-12H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169761
PNG
(2-(3-chlorobenzoyl)-4-methylphenyl 3-chlorobenzoat...)
Show SMILES Cc1ccc(OC(=O)c2cccc(Cl)c2)c(c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2O3/c1-13-8-9-19(26-21(25)15-5-3-7-17(23)12-15)18(10-13)20(24)14-4-2-6-16(22)11-14/h2-12H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333135
PNG
(2-((3-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(Br)c3)sc2n1
Show InChI InChI=1S/C13H10BrN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169761
PNG
(2-(3-chlorobenzoyl)-4-methylphenyl 3-chlorobenzoat...)
Show SMILES Cc1ccc(OC(=O)c2cccc(Cl)c2)c(c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2O3/c1-13-8-9-19(26-21(25)15-5-3-7-17(23)12-15)18(10-13)20(24)14-4-2-6-16(22)11-14/h2-12H,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50333134
PNG
(2-((3-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thi...)
Show SMILES Cc1cc(=O)n2nc(COc3cccc(Cl)c3)sc2n1
Show InChI InChI=1S/C13H10ClN3O2S/c1-8-5-12(18)17-13(15-8)20-11(16-17)7-19-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3
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n/an/a 6.18E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169755
PNG
(4-chloro-2-(2,3-dichlorobenzoyl)phenyl benzoate | ...)
Show SMILES Clc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H11Cl3O3/c21-13-9-10-17(26-20(25)12-5-2-1-3-6-12)15(11-13)19(24)14-7-4-8-16(22)18(14)23/h1-11H
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169755
PNG
(4-chloro-2-(2,3-dichlorobenzoyl)phenyl benzoate | ...)
Show SMILES Clc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H11Cl3O3/c21-13-9-10-17(26-20(25)12-5-2-1-3-6-12)15(11-13)19(24)14-7-4-8-16(22)18(14)23/h1-11H
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169755
PNG
(4-chloro-2-(2,3-dichlorobenzoyl)phenyl benzoate | ...)
Show SMILES Clc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H11Cl3O3/c21-13-9-10-17(26-20(25)12-5-2-1-3-6-12)15(11-13)19(24)14-7-4-8-16(22)18(14)23/h1-11H
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169756
PNG
(4-Methyl-benzoic acid 4-methyl-2-(4-methyl-benzoyl...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20O3/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)26-23(25)19-11-6-16(2)7-12-19/h4-14H,1-3H3
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169758
PNG
(2-benzoyl-4-methylphenyl benzoate | Benzoic acid 2...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H16O3/c1-15-12-13-19(24-21(23)17-10-6-3-7-11-17)18(14-15)20(22)16-8-4-2-5-9-16/h2-14H,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169758
PNG
(2-benzoyl-4-methylphenyl benzoate | Benzoic acid 2...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H16O3/c1-15-12-13-19(24-21(23)17-10-6-3-7-11-17)18(14-15)20(22)16-8-4-2-5-9-16/h2-14H,1H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169757
PNG
(Benzoic acid 4-(2-methyl-benzoyl)-phenyl ester | C...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1C)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-8-10-18(11-9-15)23(25)26-21-13-12-19(14-17(21)3)22(24)20-7-5-4-6-16(20)2/h4-14H,1-3H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169757
PNG
(Benzoic acid 4-(2-methyl-benzoyl)-phenyl ester | C...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1C)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-8-10-18(11-9-15)23(25)26-21-13-12-19(14-17(21)3)22(24)20-7-5-4-6-16(20)2/h4-14H,1-3H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169757
PNG
(Benzoic acid 4-(2-methyl-benzoyl)-phenyl ester | C...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1C)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-8-10-18(11-9-15)23(25)26-21-13-12-19(14-17(21)3)22(24)20-7-5-4-6-16(20)2/h4-14H,1-3H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169760
PNG
(Benzoic acid 4-(2,3-dichloro-benzoyl)-2-methyl-phe...)
Show SMILES Cc1cc(ccc1OC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H14Cl2O3/c1-13-12-15(20(24)16-8-5-9-17(22)19(16)23)10-11-18(13)26-21(25)14-6-3-2-4-7-14/h2-12H,1H3
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169758
PNG
(2-benzoyl-4-methylphenyl benzoate | Benzoic acid 2...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H16O3/c1-15-12-13-19(24-21(23)17-10-6-3-7-11-17)18(14-15)20(22)16-8-4-2-5-9-16/h2-14H,1H3
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n/an/a 9.40E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169756
PNG
(4-Methyl-benzoic acid 4-methyl-2-(4-methyl-benzoyl...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20O3/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)26-23(25)19-11-6-16(2)7-12-19/h4-14H,1-3H3
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169759
PNG
(2-Methyl-benzoic acid 4-methyl-2-(2-methyl-benzoyl...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2C)c(c1)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-12-13-21(26-23(25)19-11-7-5-9-17(19)3)20(14-15)22(24)18-10-6-4-8-16(18)2/h4-14H,1-3H3
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n/an/a 9.80E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169759
PNG
(2-Methyl-benzoic acid 4-methyl-2-(2-methyl-benzoyl...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2C)c(c1)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-12-13-21(26-23(25)19-11-7-5-9-17(19)3)20(14-15)22(24)18-10-6-4-8-16(18)2/h4-14H,1-3H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169756
PNG
(4-Methyl-benzoic acid 4-methyl-2-(4-methyl-benzoyl...)
Show SMILES Cc1ccc(cc1)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20O3/c1-15-4-9-18(10-5-15)22(24)20-14-17(3)8-13-21(20)26-23(25)19-11-6-16(2)7-12-19/h4-14H,1-3H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Acidic phospholipase A2 EC-I


(Echis carinatus)
BDBM50169760
PNG
(Benzoic acid 4-(2,3-dichloro-benzoyl)-2-methyl-phe...)
Show SMILES Cc1cc(ccc1OC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H14Cl2O3/c1-13-12-15(20(24)16-8-5-9-17(22)19(16)23)10-11-18(13)26-21(25)14-6-3-2-4-7-14/h2-12H,1H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 1


(Naja melanoleuca)
BDBM50169760
PNG
(Benzoic acid 4-(2,3-dichloro-benzoyl)-2-methyl-phe...)
Show SMILES Cc1cc(ccc1OC(=O)c1ccccc1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H14Cl2O3/c1-13-12-15(20(24)16-8-5-9-17(22)19(16)23)10-11-18(13)26-21(25)14-6-3-2-4-7-14/h2-12H,1H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair
Basic phospholipase A2 PLA-A


(Trimeresurus flavoviridis)
BDBM50169759
PNG
(2-Methyl-benzoic acid 4-methyl-2-(2-methyl-benzoyl...)
Show SMILES Cc1ccc(OC(=O)c2ccccc2C)c(c1)C(=O)c1ccccc1C
Show InChI InChI=1S/C23H20O3/c1-15-12-13-21(26-23(25)19-11-7-5-9-17(19)3)20(14-15)22(24)18-10-6-4-8-16(18)2/h4-14H,1-3H3
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n/an/a 1.39E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom


Bioorg Med Chem Lett 15: 4100-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.012
BindingDB Entry DOI: 10.7270/Q25B021W
More data for this
Ligand-Target Pair