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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'verma' and Initial = 'pk'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-delta


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50323726
PNG
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)
Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)|
Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
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n/an/a 130n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10 mins in presence of [gamma-32P]ATP by radioliga...


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50323726
PNG
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)
Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)|
Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
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n/an/a 160n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50460339
PNG
(CHEMBL4229035)
Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)|
Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50460340
PNG
(CHEMBL4228200)
Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)|
Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50460339
PNG
(CHEMBL4229035)
Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)|
Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338853
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(pyridin-4-yl)pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccncc1)c1ccco1 |c:4|
Show InChI InChI=1S/C14H13N3O2/c1-10(18)17-13(11-4-6-15-7-5-11)9-12(16-17)14-3-2-8-19-14/h2-8,13H,9H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
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 8.30E+3n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50460340
PNG
(CHEMBL4228200)
Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)|
Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338839
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-nitrophenyl)pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccco1 |c:4|
Show InChI InChI=1S/C15H13N3O4/c1-10(19)17-14(9-13(16-17)15-3-2-8-22-15)11-4-6-12(7-5-11)18(20)21/h2-8,14H,9H2,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338837
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(3-nitrophenyl)pyr...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1ccco1 |c:4|
Show InChI InChI=1S/C15H13N3O4/c1-10(19)17-14(9-13(16-17)15-6-3-7-22-15)11-4-2-5-12(8-11)18(20)21/h2-8,14H,9H2,1H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338836
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(2-nitrophenyl)pyr...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1ccco1 |c:4|
Show InChI InChI=1S/C15H13N3O4/c1-10(19)17-14(9-12(16-17)15-7-4-8-22-15)11-5-2-3-6-13(11)18(20)21/h2-8,14H,9H2,1H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338850
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(2,3-dichloropheny...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccco1 |c:4|
Show InChI InChI=1S/C15H12Cl2N2O2/c1-9(20)19-13(10-4-2-5-11(16)15(10)17)8-12(18-19)14-6-3-7-21-14/h2-7,13H,8H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338841
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-chlorophenyl)py...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1 |c:4|
Show InChI InChI=1S/C15H13ClN2O2/c1-10(19)18-14(11-4-6-12(16)7-5-11)9-13(17-18)15-3-2-8-20-15/h2-8,14H,9H2,1H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338840
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-bromophenyl)-py...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1ccco1 |c:4|
Show InChI InChI=1S/C15H13BrN2O2/c1-10(19)18-14(11-4-6-12(16)7-5-11)9-13(17-18)15-3-2-8-20-15/h2-8,14H,9H2,1H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338844
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-methylphenyl)py...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccco1 |c:4|
Show InChI InChI=1S/C16H16N2O2/c1-11-5-7-13(8-6-11)15-10-14(16-4-3-9-20-16)17-18(15)12(2)19/h3-9,15H,10H2,1-2H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338842
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccco1 |c:11|
Show InChI InChI=1S/C16H16N2O3/c1-11(19)18-15(12-5-7-13(20-2)8-6-12)10-14(17-18)16-4-3-9-21-16/h3-9,15H,10H2,1-2H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338843
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(4-N,N-dimethylami...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccco1 |c:12|
Show InChI InChI=1S/C17H19N3O2/c1-12(21)20-16(11-15(18-20)17-5-4-10-22-17)13-6-8-14(9-7-13)19(2)3/h4-10,16H,11H2,1-3H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338835
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-phenylpyrazol-1-yl...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccco1 |c:4|
Show InChI InChI=1S/C15H14N2O2/c1-11(18)17-14(12-6-3-2-4-7-12)10-13(16-17)15-8-5-9-19-15/h2-9,14H,10H2,1H3
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n/an/a 2.64E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338849
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(4-hydroxy-3-metho...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccco1 |c:12|
Show InChI InChI=1S/C16H16N2O4/c1-10(19)18-13(9-12(17-18)15-4-3-7-22-15)11-5-6-14(20)16(8-11)21-2/h3-8,13,20H,9H2,1-2H3
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n/an/a 2.68E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338838
PNG
(1-(3-(furan-2-yl)-4,5-dihydro-5-(3-hydroxyphenyl)p...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccco1 |c:4|
Show InChI InChI=1S/C15H14N2O3/c1-10(18)17-14(11-4-2-5-12(19)8-11)9-13(16-17)15-6-3-7-20-15/h2-8,14,19H,9H2,1H3
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n/an/a 2.72E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338845
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(2,5-dimethoxyphen...)
Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1C(C)=O)c1ccco1 |c:13|
Show InChI InChI=1S/C17H18N2O4/c1-11(20)19-15(10-14(18-19)17-5-4-8-23-17)13-9-12(21-2)6-7-16(13)22-3/h4-9,15H,10H2,1-3H3
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n/an/a 2.73E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338851
PNG
(1-(5-(Benzo[d][1,3]dioxol-5-yl)-3-(furan-2-yl)-4,5...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccco1 |c:4|
Show InChI InChI=1S/C16H14N2O4/c1-10(19)18-13(8-12(17-18)14-3-2-6-20-14)11-4-5-15-16(7-11)22-9-21-15/h2-7,13H,8-9H2,1H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338846
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:15|
Show InChI InChI=1S/C18H20N2O5/c1-11(21)20-14(10-13(19-20)15-6-5-7-25-15)12-8-16(22-2)18(24-4)17(9-12)23-3/h5-9,14H,10H2,1-4H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338847
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:13|
Show InChI InChI=1S/C17H18N2O4/c1-11(20)19-14(10-13(18-19)15-5-4-8-23-15)12-6-7-16(21-2)17(9-12)22-3/h4-9,14H,10H2,1-3H3
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n/an/a 2.94E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338848
PNG
(1-(3-(Furan-2-yl)-4,5-dihydro-5-(2,4,5-trimethoxyp...)
Show SMILES COc1cc(OC)c(cc1OC)C1CC(=NN1C(C)=O)c1ccco1 |c:15|
Show InChI InChI=1S/C18H20N2O5/c1-11(21)20-14(9-13(19-20)15-6-5-7-25-15)12-8-17(23-3)18(24-4)10-16(12)22-2/h5-8,10,14H,9H2,1-4H3
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n/an/a 3.02E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338822
PNG
(1-(4,5-dihydro-3-(naphth-1-yl)-5-(4-nitrophenyl)-1...)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H17N3O3/c1-14(25)23-21(16-9-11-17(12-10-16)24(26)27)13-20(22-23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,21H,13H2,1H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338832
PNG
(1-(5-(2,3-Dichlorophenyl)-4,5-dihydro-3-(naphth-1-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H16Cl2N2O/c1-13(26)25-20(17-10-5-11-18(22)21(17)23)12-19(24-25)16-9-4-7-14-6-2-3-8-15(14)16/h2-11,20H,12H2,1H3
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n/an/a 3.42E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338823
PNG
(1-(4,5-Dihydro-3-(naphth-1-yl)-5-(3-nitrophenyl)-1...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H17N3O3/c1-14(25)23-21(16-8-4-9-17(12-16)24(26)27)13-20(22-23)19-11-5-7-15-6-2-3-10-18(15)19/h2-12,21H,13H2,1H3
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n/an/a 3.64E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338826
PNG
(1-(4,5-Dihydro-3-(naphth-1-yl)-5-(2-nitrophenyl)-1...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H17N3O3/c1-14(25)23-21(18-10-4-5-12-20(18)24(26)27)13-19(22-23)17-11-6-8-15-7-2-3-9-16(15)17/h2-12,21H,13H2,1H3
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n/an/a 3.72E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338825
PNG
(1-(5-(3-Bromophenyl)-4,5-dihydro-3-(naphth-1-yl)-1...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Br)c1)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H17BrN2O/c1-14(25)24-21(16-8-4-9-17(22)12-16)13-20(23-24)19-11-5-7-15-6-2-3-10-18(15)19/h2-12,21H,13H2,1H3
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n/an/a 3.87E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338872
PNG
(1-(4,5-dihydro-3-(naphth-1-yl)-5-phenyl)-1H-pyrazo...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C21H18N2O/c1-15(24)23-21(17-9-3-2-4-10-17)14-20(22-23)19-13-7-11-16-8-5-6-12-18(16)19/h2-13,21H,14H2,1H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338824
PNG
(1-(4,5-Dihydro-5-(4-methoxyphenyl)-3-(naphth-1-yl)...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:11|
Show InChI InChI=1S/C22H20N2O2/c1-15(25)24-22(17-10-12-18(26-2)13-11-17)14-21(23-24)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,22H,14H2,1-2H3
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n/an/a 4.35E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338827
PNG
(1-(4,5-Dihydro-5-(2,5-dimethoxyphenyl)-3-(naphth-1...)
Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:13|
Show InChI InChI=1S/C23H22N2O3/c1-15(26)25-22(20-13-17(27-2)11-12-23(20)28-3)14-21(24-25)19-10-6-8-16-7-4-5-9-18(16)19/h4-13,22H,14H2,1-3H3
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n/an/a 4.48E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338828
PNG
(1-(4,5-Dihydro-5-(3,4-dimethoxyphenyl)-3-(naphth-1...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:13|
Show InChI InChI=1S/C23H22N2O3/c1-15(26)25-21(17-11-12-22(27-2)23(13-17)28-3)14-20(24-25)19-10-6-8-16-7-4-5-9-18(16)19/h4-13,21H,14H2,1-3H3
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n/an/a 4.56E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338831
PNG
(1-(4,5-Dihydro-5-(4-hydroxy-3-methoxyphenyl)-3-(na...)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:12|
Show InChI InChI=1S/C22H20N2O3/c1-14(25)24-20(16-10-11-21(26)22(12-16)27-2)13-19(23-24)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,20,26H,13H2,1-2H3
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n/an/a 4.57E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338830
PNG
(1-(4,5-Dihydro-5-(2,3,4-trimethoxyphenyl)-3-(napht...)
Show SMILES COc1cc(OC)c(cc1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:15|
Show InChI InChI=1S/C24H24N2O4/c1-15(27)26-21(19-12-23(29-3)24(30-4)14-22(19)28-2)13-20(25-26)18-11-7-9-16-8-5-6-10-17(16)18/h5-12,14,21H,13H2,1-4H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338833
PNG
(1-(5-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-3-(nap...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C22H18N2O3/c1-14(25)24-20(16-9-10-21-22(11-16)27-13-26-21)12-19(23-24)18-8-4-6-15-5-2-3-7-17(15)18/h2-11,20H,12-13H2,1H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338829
PNG
(1-(4,5-Dihydro-5-(3,4,5-trimethoxyphenyl)-3-(napht...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1cccc2ccccc12 |c:15|
Show InChI InChI=1S/C24H24N2O4/c1-15(27)26-21(17-12-22(28-2)24(30-4)23(13-17)29-3)14-20(25-26)19-11-7-9-16-8-5-6-10-18(16)19/h5-13,21H,14H2,1-4H3
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n/an/a 4.95E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338865
PNG
(1-Acetyl-3-(4-bromophenyl)-5-(2,3-dichlorophenyl)-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C17H13BrCl2N2O/c1-10(23)22-16(13-3-2-4-14(19)17(13)20)9-15(21-22)11-5-7-12(18)8-6-11/h2-8,16H,9H2,1H3
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n/an/a 5.17E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338857
PNG
(1-Acetyl-5-(2,3-dichlorophenyl)-3-phenyl-4,5-dihyd...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H14Cl2N2O/c1-11(22)21-16(13-8-5-9-14(18)17(13)19)10-15(20-21)12-6-3-2-4-7-12/h2-9,16H,10H2,1H3
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n/an/a 5.51E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338870
PNG
(1-Acetyl-5-(2,3-dichlorophenyl)-3-(3-nitrophenyl)-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1Cl)c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C17H13Cl2N3O3/c1-10(23)21-16(13-6-3-7-14(18)17(13)19)9-15(20-21)11-4-2-5-12(8-11)22(24)25/h2-8,16H,9H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
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PubMed
n/an/a 6.14E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338863
PNG
(1-Acetyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:13|
Show InChI InChI=1S/C19H19BrN2O3/c1-12(23)22-17(14-6-9-18(24-2)19(10-14)25-3)11-16(21-22)13-4-7-15(20)8-5-13/h4-10,17H,11H2,1-3H3
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n/an/a 6.41E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338866
PNG
(1-(5-(Benzo[d][1,3]dioxol-6-yl)-3-(4-bromophenyl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C18H15BrN2O3/c1-11(22)21-16(13-4-7-17-18(8-13)24-10-23-17)9-15(20-21)12-2-5-14(19)6-3-12/h2-8,16H,9-10H2,1H3
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n/an/a 6.63E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338862
PNG
(1-(3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihyd...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:11|
Show InChI InChI=1S/C18H17BrN2O2/c1-12(22)21-18(14-5-9-16(23-2)10-6-14)11-17(20-21)13-3-7-15(19)8-4-13/h3-10,18H,11H2,1-2H3
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n/an/a 6.65E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50323726
PNG
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)
Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)|
Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
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n/an/a 7.00E+4n/an/an/an/an/an/a



India Academy of Scientific & Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay


Bioorg Med Chem Lett 28: 1005-1010 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338860
PNG
(1-(5-(Benzo[d][1,3]dioxol-6-yl)-4,5-dihydro-3-phen...)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C18H16N2O3/c1-12(21)20-16(10-15(19-20)13-5-3-2-4-6-13)14-7-8-17-18(9-14)23-11-22-17/h2-9,16H,10-11H2,1H3
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n/an/a 7.08E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338861
PNG
(1-(3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyraz...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C17H15BrN2O/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(18)10-8-13/h2-10,17H,11H2,1H3
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n/an/a 7.13E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50338868
PNG
(1-Acetyl-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-4,5...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cccc(c1)[N+]([O-])=O |c:11|
Show InChI InChI=1S/C18H17N3O4/c1-12(22)20-18(13-6-8-16(25-2)9-7-13)11-17(19-20)14-4-3-5-15(10-14)21(23)24/h3-10,18H,11H2,1-2H3
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n/an/a 7.33E+4n/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry


Bioorg Med Chem 19: 1950-8 (2011)


Article DOI: 10.1016/j.bmc.2011.01.058
BindingDB Entry DOI: 10.7270/Q237791S
More data for this
Ligand-Target Pair
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