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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50004063   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50479075
PNG
(CHEMBL492770)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,20,21)/b16-10-
PDB

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n/an/a<400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479081
PNG
(CHEMBL467149)
Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)\C=C(/O)C(O)=O
Show InChI InChI=1S/C18H16O6/c1-23-16-8-7-13(14(19)10-15(20)18(21)22)9-17(16)24-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,21,22)/b15-10-
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n/an/a<400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479066
PNG
(CHEMBL454190)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C39H36N2O8/c42-34(29-13-7-15-32(21-29)48-25-27-9-3-1-4-10-27)23-36(44)38(46)40-31-17-19-41(20-18-31)39(47)37(45)24-35(43)30-14-8-16-33(22-30)49-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2,(H,40,46)
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n/an/a<400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479058
PNG
(CHEMBL467380)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1
Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479065
PNG
(CHEMBL443890)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479064
PNG
(CHEMBL452223)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C39H35NO9/c41-34(29-13-7-15-32(21-29)47-25-27-9-3-1-4-10-27)23-36(43)38(45)40-19-17-31(18-20-40)49-39(46)37(44)24-35(42)30-14-8-16-33(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479057
PNG
(CHEMBL444974)
Show SMILES Cc1cc(ccc1Cl)C(=O)\C=C(/O)C(O)=O
Show InChI InChI=1S/C11H9ClO4/c1-6-4-7(2-3-8(6)12)9(13)5-10(14)11(15)16/h2-5,14H,1H3,(H,15,16)/b10-5-
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n/an/a 4.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479067
PNG
(CHEMBL452876)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 |(-2.39,-9.08,;-2.4,-7.52,;-3.73,-6.76,;-5.07,-7.52,;-5.07,-9.07,;-6.4,-6.76,;-7.73,-7.53,;-9.06,-6.76,;-9.07,-5.21,;-7.73,-4.44,;-7.73,-2.91,;-6.39,-2.14,;-6.39,-.6,;-5.07,.17,;-5.06,1.7,;-6.39,2.47,;-7.73,1.7,;-7.73,.17,;-6.4,-5.21,;-1.06,-6.76,;-1.06,-5.21,;.28,-7.52,;1.59,-6.72,;2.94,-7.45,;4.26,-6.64,;4.22,-5.11,;2.87,-4.37,;1.54,-5.17,;5.53,-4.31,;5.49,-2.77,;4.13,-2.02,;6.81,-1.96,;8.17,-2.7,;6.76,-.41,;8.08,.39,;9.44,-.35,;8.04,1.93,;9.36,2.73,;9.33,4.26,;7.97,4.99,;6.65,4.19,;5.3,4.92,;3.99,4.12,;2.63,4.85,;2.6,6.39,;1.25,7.12,;-.07,6.32,;-.02,4.78,;1.33,4.05,;6.69,2.65,)|
Show InChI InChI=1S/C40H38N2O8/c43-35(29-13-7-15-33(21-29)49-25-27-9-3-1-4-10-27)23-37(45)39(47)41-31-17-19-32(20-18-31)42-40(48)38(46)24-36(44)30-14-8-16-34(22-30)50-26-28-11-5-2-6-12-28/h1-16,21-22,31-32H,17-20,23-26H2,(H,41,47)(H,42,48)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479072
PNG
(CHEMBL467361)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(NC(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C19H17NO6/c1-25-18(23)17(22)11-16(21)14-8-5-9-15(10-14)20-19(24)26-12-13-6-3-2-4-7-13/h2-11,22H,12H2,1H3,(H,20,24)/b17-11-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479048
PNG
(CHEMBL476930)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16O5/c1-22-18(21)17(20)11-16(19)14-8-5-9-15(10-14)23-12-13-6-3-2-4-7-13/h2-11,20H,12H2,1H3/b17-11-
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n/an/a 1.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479068
PNG
(CHEMBL511423)
Show SMILES CCCCCC12CCC(CC1)(CC2)C(=O)Nc1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C24H31NO5/c1-2-3-4-8-23-9-12-24(13-10-23,14-11-23)22(30)25-18-7-5-6-17(15-18)19(26)16-20(27)21(28)29/h5-7,15H,2-4,8-14,16H2,1H3,(H,25,30)(H,28,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479076
PNG
(CHEMBL452111)
Show SMILES COC(=O)C(\O)=C\C(=O)c1ccc(OC)c(OCc2ccccc2)c1
Show InChI InChI=1S/C19H18O6/c1-23-17-9-8-14(15(20)11-16(21)19(22)24-2)10-18(17)25-12-13-6-4-3-5-7-13/h3-11,21H,12H2,1-2H3/b16-11-
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n/an/a 1.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479056
PNG
(CHEMBL448880)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C10H7ClO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-
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n/an/a 1.70E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479075
PNG
(CHEMBL492770)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,20,21)/b16-10-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479066
PNG
(CHEMBL454190)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C39H36N2O8/c42-34(29-13-7-15-32(21-29)48-25-27-9-3-1-4-10-27)23-36(44)38(46)40-31-17-19-41(20-18-31)39(47)37(45)24-35(43)30-14-8-16-33(22-30)49-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2,(H,40,46)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479049
PNG
(CHEMBL467389)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)/b9-6-
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n/an/a 2.42E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479053
PNG
(CHEMBL464340)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N2O6/c27-25(28,29)17-5-1-15(2-6-17)19(35)13-21(37)23(39)33-9-11-34(12-10-33)24(40)22(38)14-20(36)16-3-7-18(8-4-16)26(30,31)32/h1-8H,9-14H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479052
PNG
(CHEMBL468233)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OC)c1 |(21.13,-17.07,;19.8,-17.83,;19.8,-19.37,;18.46,-20.14,;18.47,-21.69,;19.8,-22.45,;21.12,-21.68,;21.13,-20.14,;22.45,-22.45,;22.45,-23.99,;23.79,-21.68,;25.12,-22.45,;25.13,-24,;26.46,-21.68,;26.46,-20.14,;27.8,-22.44,;29.11,-21.64,;30.46,-22.37,;31.77,-21.57,;31.73,-20.04,;30.38,-19.3,;29.06,-20.09,;33.05,-19.23,;33,-17.69,;31.65,-16.95,;34.32,-16.89,;35.67,-17.62,;34.28,-15.34,;35.59,-14.54,;36.95,-15.28,;35.55,-13,;36.87,-12.2,;36.84,-10.68,;35.48,-9.94,;34.16,-10.74,;32.81,-10.01,;32.77,-8.48,;34.21,-12.28,)|
Show InChI InChI=1S/C28H30N2O8/c1-37-21-7-3-5-17(13-21)23(31)15-25(33)27(35)29-19-9-11-20(12-10-19)30-28(36)26(34)16-24(32)18-6-4-8-22(14-18)38-2/h3-8,13-14,19-20H,9-12,15-16H2,1-2H3,(H,29,35)(H,30,36)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479051
PNG
(CHEMBL468234)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C26H26N2O8/c1-35-19-7-3-5-17(13-19)21(29)15-23(31)25(33)27-9-11-28(12-10-27)26(34)24(32)16-22(30)18-6-4-8-20(14-18)36-2/h3-8,13-14H,9-12,15-16H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479058
PNG
(CHEMBL467380)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1
Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479079
PNG
(CHEMBL502238)
Show SMILES COc1cccc(c1)C(=O)\C=C(/O)C(O)=O
Show InChI InChI=1S/C11H10O5/c1-16-8-4-2-3-7(5-8)9(12)6-10(13)11(14)15/h2-6,13H,1H3,(H,14,15)/b10-6-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479080
PNG
(CHEMBL467360)
Show SMILES Fc1ccc(cc1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H20F2N2O6/c25-17-5-1-15(2-6-17)19(29)13-21(31)23(33)27-9-11-28(12-10-27)24(34)22(32)14-20(30)16-3-7-18(26)8-4-16/h1-8H,9-14H2
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479071
PNG
(CHEMBL513666)
Show SMILES Clc1ccccc1C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccccc1Cl |(20.05,-16.63,;18.72,-17.4,;17.39,-16.63,;16.06,-17.4,;16.06,-18.94,;17.4,-19.71,;18.72,-18.94,;20.05,-19.7,;20.05,-21.25,;21.38,-18.94,;22.71,-19.7,;22.73,-21.25,;24.05,-18.94,;24.05,-17.39,;25.39,-19.7,;26.7,-18.9,;28.05,-19.63,;29.36,-18.82,;29.33,-17.29,;27.98,-16.56,;26.65,-17.35,;30.64,-16.49,;30.6,-14.95,;29.24,-14.2,;31.91,-14.14,;33.27,-14.88,;31.87,-12.6,;33.19,-11.79,;34.54,-12.54,;33.15,-10.26,;31.8,-9.54,;31.75,-8,;33.07,-7.2,;34.43,-7.94,;34.46,-9.46,;35.81,-10.2,)|
Show InChI InChI=1S/C26H24Cl2N2O6/c27-19-7-3-1-5-17(19)21(31)13-23(33)25(35)29-15-9-11-16(12-10-15)30-26(36)24(34)14-22(32)18-6-2-4-8-20(18)28/h1-8,15-16H,9-14H2,(H,29,35)(H,30,36)
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479055
PNG
(CHEMBL469071)
Show SMILES Clc1ccccc1C(=O)CC(=O)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O6/c26-18-7-3-1-5-16(18)20(30)13-22(32)24(34)28-15-9-11-29(12-10-15)25(35)23(33)14-21(31)17-6-2-4-8-19(17)27/h1-8,15H,9-14H2,(H,28,34)
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479070
PNG
(CHEMBL465864)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H7F3O4/c12-11(13,14)7-3-1-6(2-4-7)8(15)5-9(16)10(17)18/h1-5,16H,(H,17,18)/b9-5-
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479060
PNG
(CHEMBL469070)
Show SMILES Fc1ccc(cc1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccc(F)cc1 |(8.82,-41.88,;10.15,-42.65,;11.48,-41.88,;12.81,-42.65,;12.81,-44.19,;11.49,-44.96,;10.16,-44.2,;14.14,-44.96,;14.14,-46.5,;15.47,-44.19,;16.81,-44.96,;16.82,-46.51,;18.15,-44.19,;18.15,-42.65,;19.48,-44.96,;20.8,-44.15,;22.14,-44.88,;23.46,-44.08,;23.42,-42.55,;22.07,-41.81,;20.74,-42.61,;24.73,-41.75,;24.69,-40.21,;23.34,-39.46,;26.01,-39.4,;27.36,-40.13,;25.96,-37.86,;27.28,-37.05,;28.63,-37.79,;27.24,-35.51,;28.55,-34.72,;28.52,-33.19,;27.16,-32.46,;27.13,-30.92,;25.85,-33.26,;25.89,-34.8,)|
Show InChI InChI=1S/C26H24F2N2O6/c27-17-5-1-15(2-6-17)21(31)13-23(33)25(35)29-19-9-11-20(12-10-19)30-26(36)24(34)14-22(32)16-3-7-18(28)8-4-16/h1-8,19-20H,9-14H2,(H,29,35)(H,30,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479077
PNG
(CHEMBL505776)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccc(cc1)C(F)(F)F |(13,-21.73,;14.33,-22.5,;13.57,-23.83,;15.11,-21.18,;15.67,-23.27,;17,-22.5,;18.33,-23.27,;18.33,-24.81,;17,-25.58,;15.67,-24.82,;19.66,-25.58,;19.66,-27.12,;20.99,-24.81,;22.33,-25.58,;22.34,-27.13,;23.67,-24.81,;23.67,-23.27,;25,-25.58,;26.32,-24.77,;27.66,-25.5,;28.98,-24.7,;28.94,-23.17,;27.59,-22.43,;26.27,-23.23,;30.26,-22.37,;30.21,-20.83,;28.86,-20.08,;31.53,-20.02,;32.88,-20.75,;31.48,-18.47,;32.8,-17.67,;34.16,-18.41,;32.76,-16.13,;34.08,-15.33,;34.05,-13.81,;32.69,-13.07,;31.37,-13.87,;31.42,-15.41,;32.65,-11.54,;32.64,-9.99,;31.11,-11.56,;34.19,-11.52,)|
Show InChI InChI=1S/C28H24F6N2O6/c29-27(30,31)17-5-1-15(2-6-17)21(37)13-23(39)25(41)35-19-9-11-20(12-10-19)36-26(42)24(40)14-22(38)16-3-7-18(8-4-16)28(32,33)34/h1-8,19-20H,9-14H2,(H,35,41)(H,36,42)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479050
PNG
(CHEMBL468235)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-1-3-7(4-2-6)11(16)17/h1-5,13H,(H,14,15)/b9-5-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479069
PNG
(CHEMBL512106)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C27H28N2O8/c1-36-20-7-3-5-17(13-20)22(30)15-24(32)26(34)28-19-9-11-29(12-10-19)27(35)25(33)16-23(31)18-6-4-8-21(14-18)37-2/h3-8,13-14,19H,9-12,15-16H2,1-2H3,(H,28,34)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479074
PNG
(CHEMBL467169)
Show SMILES Fc1ccccc1C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccccc1F |(4.24,-28.05,;5.54,-27.24,;5.5,-25.7,;6.82,-24.9,;8.17,-25.64,;8.21,-27.16,;6.89,-27.96,;6.93,-29.49,;8.28,-30.24,;5.61,-30.3,;5.66,-31.84,;7.01,-32.58,;4.34,-32.65,;2.99,-31.9,;4.39,-34.19,;3.07,-34.99,;3.11,-36.52,;1.8,-37.33,;.45,-36.6,;.4,-35.05,;1.72,-34.26,;-.86,-37.4,;-2.2,-36.63,;-2.2,-35.09,;-3.54,-37.4,;-3.53,-38.95,;-4.87,-36.63,;-6.2,-37.4,;-6.2,-38.95,;-7.54,-36.63,;-8.86,-37.41,;-10.19,-36.64,;-10.2,-35.09,;-8.86,-34.33,;-7.53,-35.09,;-6.2,-34.33,)|
Show InChI InChI=1S/C26H24F2N2O6/c27-19-7-3-1-5-17(19)21(31)13-23(33)25(35)29-15-9-11-16(12-10-15)30-26(36)24(34)14-22(32)18-6-2-4-8-20(18)28/h1-8,15-16H,9-14H2,(H,29,35)(H,30,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479081
PNG
(CHEMBL467149)
Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)\C=C(/O)C(O)=O
Show InChI InChI=1S/C18H16O6/c1-23-16-8-7-13(14(19)10-15(20)18(21)22)9-17(16)24-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,21,22)/b15-10-
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479065
PNG
(CHEMBL443890)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C38H34N2O8/c41-33(29-13-7-15-31(21-29)47-25-27-9-3-1-4-10-27)23-35(43)37(45)39-17-19-40(20-18-39)38(46)36(44)24-34(42)30-14-8-16-32(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22H,17-20,23-26H2
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479062
PNG
(CHEMBL449221)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccccc1F
Show InChI InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479073
PNG
(CHEMBL467359)
Show SMILES Fc1ccc(cc1)C(=O)CC(=O)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H22F2N2O6/c26-17-5-1-15(2-6-17)20(30)13-22(32)24(34)28-19-9-11-29(12-10-19)25(35)23(33)14-21(31)16-3-7-18(27)8-4-16/h1-8,19H,9-14H2,(H,28,34)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479064
PNG
(CHEMBL452223)
Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C39H35NO9/c41-34(29-13-7-15-32(21-29)47-25-27-9-3-1-4-10-27)23-36(43)38(45)40-19-17-31(18-20-40)49-39(46)37(44)24-35(42)30-14-8-16-33(22-30)48-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479071
PNG
(CHEMBL513666)
Show SMILES Clc1ccccc1C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccccc1Cl |(20.05,-16.63,;18.72,-17.4,;17.39,-16.63,;16.06,-17.4,;16.06,-18.94,;17.4,-19.71,;18.72,-18.94,;20.05,-19.7,;20.05,-21.25,;21.38,-18.94,;22.71,-19.7,;22.73,-21.25,;24.05,-18.94,;24.05,-17.39,;25.39,-19.7,;26.7,-18.9,;28.05,-19.63,;29.36,-18.82,;29.33,-17.29,;27.98,-16.56,;26.65,-17.35,;30.64,-16.49,;30.6,-14.95,;29.24,-14.2,;31.91,-14.14,;33.27,-14.88,;31.87,-12.6,;33.19,-11.79,;34.54,-12.54,;33.15,-10.26,;31.8,-9.54,;31.75,-8,;33.07,-7.2,;34.43,-7.94,;34.46,-9.46,;35.81,-10.2,)|
Show InChI InChI=1S/C26H24Cl2N2O6/c27-19-7-3-1-5-17(19)21(31)13-23(33)25(35)29-15-9-11-16(12-10-15)30-26(36)24(34)14-22(32)18-6-2-4-8-20(18)28/h1-8,15-16H,9-14H2,(H,29,35)(H,30,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479057
PNG
(CHEMBL444974)
Show SMILES Cc1cc(ccc1Cl)C(=O)\C=C(/O)C(O)=O
Show InChI InChI=1S/C11H9ClO4/c1-6-4-7(2-3-8(6)12)9(13)5-10(14)11(15)16/h2-5,14H,1H3,(H,15,16)/b10-5-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479072
PNG
(CHEMBL467361)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(NC(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C19H17NO6/c1-25-18(23)17(22)11-16(21)14-8-5-9-15(10-14)20-19(24)26-12-13-6-3-2-4-7-13/h2-11,22H,12H2,1H3,(H,20,24)/b17-11-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479055
PNG
(CHEMBL469071)
Show SMILES Clc1ccccc1C(=O)CC(=O)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O6/c26-18-7-3-1-5-16(18)20(30)13-22(32)24(34)28-15-9-11-29(12-10-15)25(35)23(33)14-21(31)17-6-2-4-8-19(17)27/h1-8,15H,9-14H2,(H,28,34)
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479048
PNG
(CHEMBL476930)
Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16O5/c1-22-18(21)17(20)11-16(19)14-8-5-9-15(10-14)23-12-13-6-3-2-4-7-13/h2-11,20H,12H2,1H3/b17-11-
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479049
PNG
(CHEMBL467389)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)/b9-6-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479050
PNG
(CHEMBL468235)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-1-3-7(4-2-6)11(16)17/h1-5,13H,(H,14,15)/b9-5-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479051
PNG
(CHEMBL468234)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C26H26N2O8/c1-35-19-7-3-5-17(13-19)21(29)15-23(31)25(33)27-9-11-28(12-10-27)26(34)24(32)16-22(30)18-6-4-8-20(14-18)36-2/h3-8,13-14H,9-12,15-16H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479052
PNG
(CHEMBL468233)
Show SMILES COc1cccc(c1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OC)c1 |(21.13,-17.07,;19.8,-17.83,;19.8,-19.37,;18.46,-20.14,;18.47,-21.69,;19.8,-22.45,;21.12,-21.68,;21.13,-20.14,;22.45,-22.45,;22.45,-23.99,;23.79,-21.68,;25.12,-22.45,;25.13,-24,;26.46,-21.68,;26.46,-20.14,;27.8,-22.44,;29.11,-21.64,;30.46,-22.37,;31.77,-21.57,;31.73,-20.04,;30.38,-19.3,;29.06,-20.09,;33.05,-19.23,;33,-17.69,;31.65,-16.95,;34.32,-16.89,;35.67,-17.62,;34.28,-15.34,;35.59,-14.54,;36.95,-15.28,;35.55,-13,;36.87,-12.2,;36.84,-10.68,;35.48,-9.94,;34.16,-10.74,;32.81,-10.01,;32.77,-8.48,;34.21,-12.28,)|
Show InChI InChI=1S/C28H30N2O8/c1-37-21-7-3-5-17(13-21)23(31)15-25(33)27(35)29-19-9-11-20(12-10-19)30-28(36)26(34)16-24(32)18-6-4-8-22(14-18)38-2/h3-8,13-14,19-20H,9-12,15-16H2,1-2H3,(H,29,35)(H,30,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479053
PNG
(CHEMBL464340)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N2O6/c27-25(28,29)17-5-1-15(2-6-17)19(35)13-21(37)23(39)33-9-11-34(12-10-33)24(40)22(38)14-20(36)16-3-7-18(8-4-16)26(30,31)32/h1-8H,9-14H2
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479054
PNG
(CHEMBL467351)
Show SMILES Clc1ccccc1C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H20Cl2N2O6/c25-17-7-3-1-5-15(17)19(29)13-21(31)23(33)27-9-11-28(12-10-27)24(34)22(32)14-20(30)16-6-2-4-8-18(16)26/h1-8H,9-14H2
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479056
PNG
(CHEMBL448880)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C10H7ClO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-
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Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479059
PNG
(CHEMBL513321)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(\O)=C\C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN2O5/c1-20(2,3)28-19(27)23-10-8-15(9-11-23)22-18(26)17(25)12-16(24)13-4-6-14(21)7-5-13/h4-7,12,15,25H,8-11H2,1-3H3,(H,22,26)/b17-12-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479060
PNG
(CHEMBL469070)
Show SMILES Fc1ccc(cc1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccc(F)cc1 |(8.82,-41.88,;10.15,-42.65,;11.48,-41.88,;12.81,-42.65,;12.81,-44.19,;11.49,-44.96,;10.16,-44.2,;14.14,-44.96,;14.14,-46.5,;15.47,-44.19,;16.81,-44.96,;16.82,-46.51,;18.15,-44.19,;18.15,-42.65,;19.48,-44.96,;20.8,-44.15,;22.14,-44.88,;23.46,-44.08,;23.42,-42.55,;22.07,-41.81,;20.74,-42.61,;24.73,-41.75,;24.69,-40.21,;23.34,-39.46,;26.01,-39.4,;27.36,-40.13,;25.96,-37.86,;27.28,-37.05,;28.63,-37.79,;27.24,-35.51,;28.55,-34.72,;28.52,-33.19,;27.16,-32.46,;27.13,-30.92,;25.85,-33.26,;25.89,-34.8,)|
Show InChI InChI=1S/C26H24F2N2O6/c27-17-5-1-15(2-6-17)21(31)13-23(33)25(35)29-19-9-11-20(12-10-19)30-26(36)24(34)14-22(32)16-3-7-18(28)8-4-16/h1-8,19-20H,9-14H2,(H,29,35)(H,30,36)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479061
PNG
(CHEMBL469069)
Show SMILES COC(=O)C(\O)=C\C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C11H9FO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-6,14H,1H3/b10-6-
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore...


Bioorg Med Chem 16: 7777-87 (2008)


Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4
More data for this
Ligand-Target Pair
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