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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'zouhiri' and Initial = 'f'   
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)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
PDB
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n/an/a 300n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
PDB
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n/an/a 300n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
PDB
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n/an/a 400n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB
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PubMed
n/an/a 700n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483192
PNG
(CHEMBL1631331)
Show SMILES [Na;v0+].[#6]-[#8]-c1cc(\[#6]=[#6]\c2ccc3ccc(-[#6](-[#8-])=O)c(-[#8])c3n2)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/p-1/b5-2+
PDB

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n/an/a 700n/an/an/an/an/an/a



Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of HIV 1 integrase strand transfer activity


Antimicrob Agents Chemother 52: 3532-41 (2008)


Article DOI: 10.1128/AAC.01361-07
BindingDB Entry DOI: 10.7270/Q26976D3
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB
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n/an/a 700n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50145369
PNG
(2-(3,4-Dihydroxy-phenylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)Nc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H12N2O6/c20-12-6-3-9(7-13(12)21)18-16(23)11-5-2-8-1-4-10(17(24)25)15(22)14(8)19-11/h1-7,20-22H,(H,18,23)(H,24,25)
PDB
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PubMed
n/an/a 900n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087427
PNG
((E)-8-hydroxy-2-(3-hydroxy-4-methoxystyryl)quinoli...)
Show SMILES COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C19H15NO5/c1-25-16-9-3-11(10-15(16)21)2-6-13-7-4-12-5-8-14(19(23)24)18(22)17(12)20-13/h2-10,21-22H,1H3,(H,23,24)/b6-2+
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n/an/a 900n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
PDB
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay


Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
PDB
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087431
PNG
(2-[2-(4-Acetylamino-phenyl)-vinyl]-8-hydroxy-quino...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)21-15-7-2-13(3-8-15)4-9-16-10-5-14-6-11-17(20(25)26)19(24)18(14)22-16/h2-11,24H,1H3,(H,21,23)(H,25,26)/b9-4+
PDB
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087432
PNG
(8-Hydroxy-2-[2-(4-nitro-phenyl)-vinyl]-quinoline-7...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(cc3)[N+]([O-])=O)nc2c1O
Show InChI InChI=1S/C18H12N2O5/c21-17-15(18(22)23)10-5-12-4-7-13(19-16(12)17)6-1-11-2-8-14(9-3-11)20(24)25/h1-10,21H,(H,22,23)/b6-1+
PDB
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
PDB
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087431
PNG
(2-[2-(4-Acetylamino-phenyl)-vinyl]-8-hydroxy-quino...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)21-15-7-2-13(3-8-15)4-9-16-10-5-14-6-11-17(20(25)26)19(24)18(14)22-16/h2-11,24H,1H3,(H,21,23)(H,25,26)/b9-4+
PDB
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n/an/a 1.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087426
PNG
(2-(3,4-dihydroxyphenethyl)-8-hydroxyquinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H15NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h2-4,6-9,20-22H,1,5H2,(H,23,24)
PDB
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n/an/a 1.50E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50145363
PNG
(8-Hydroxy-2-(2,3,4-trihydroxy-benzylcarbamoyl)-qui...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H14N2O7/c21-12-6-3-9(14(22)16(12)24)7-19-17(25)11-5-2-8-1-4-10(18(26)27)15(23)13(8)20-11/h1-6,21-24H,7H2,(H,19,25)(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087432
PNG
(8-Hydroxy-2-[2-(4-nitro-phenyl)-vinyl]-quinoline-7...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(cc3)[N+]([O-])=O)nc2c1O
Show InChI InChI=1S/C18H12N2O5/c21-17-15(18(22)23)10-5-12-4-7-13(19-16(12)17)6-1-11-2-8-14(9-3-11)20(24)25/h1-10,21H,(H,22,23)/b6-1+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087430
PNG
((E)-2-(2-(furan-2-yl)vinyl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccco3)nc2c1O
Show InChI InChI=1S/C16H11NO4/c18-15-13(16(19)20)8-4-10-3-5-11(17-14(10)15)6-7-12-2-1-9-21-12/h1-9,18H,(H,19,20)/b7-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing was tested in CEM cells


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay


Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065793
PNG
(8-Hydroxy-2-[(E)-2-(3,4,5-trihydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO6/c20-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)19-11/h1-8,20-23H,(H,24,25)/b4-1+
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n/an/a 2.10E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087420
PNG
((E)-2-(4-aminostyryl)-8-hydroxyquinoline-7-carboxy...)
Show SMILES Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C18H14N2O3/c19-13-6-1-11(2-7-13)3-8-14-9-4-12-5-10-15(18(22)23)17(21)16(12)20-14/h1-10,21H,19H2,(H,22,23)/b8-3+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087426
PNG
(2-(3,4-dihydroxyphenethyl)-8-hydroxyquinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H15NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h2-4,6-9,20-22H,1,5H2,(H,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087426
PNG
(2-(3,4-dihydroxyphenethyl)-8-hydroxyquinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H15NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h2-4,6-9,20-22H,1,5H2,(H,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.30E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.40E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.40E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065790
PNG
((E)-2-(2,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3O)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-3-10(15(21)9-13)1-5-12-6-2-11-4-8-14(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.50E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
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n/an/a 2.70E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087425
PNG
(8-Hydroxy-2-[2-(4-hydroxy-3-methoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)ccc1O
Show InChI InChI=1S/C19H15NO5/c1-25-16-10-11(3-9-15(16)21)2-6-13-7-4-12-5-8-14(19(23)24)18(22)17(12)20-13/h2-10,21-22H,1H3,(H,23,24)/b6-2+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065790
PNG
((E)-2-(2,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3O)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-3-10(15(21)9-13)1-5-12-6-2-11-4-8-14(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50145368
PNG
(2-(2-(2,4-dinitrophenyl)hydrazinecarbonyl)-8-hydro...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O8/c23-15-10(17(25)26)4-1-8-2-5-12(18-14(8)15)16(24)20-19-11-6-3-9(21(27)28)7-13(11)22(29)30/h1-7,19,23H,(H,20,24)(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087434
PNG
(8-Hydroxy-2-(2-thiophen-3-yl-vinyl)-quinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccsc3)nc2c1O
Show InChI InChI=1S/C16H11NO3S/c18-15-13(16(19)20)6-3-11-2-5-12(17-14(11)15)4-1-10-7-8-21-9-10/h1-9,18H,(H,19,20)/b4-1+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087436
PNG
(2-(3,5-dihydroxystyryl)-8-hydroxyquinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)cc(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-10(8-14(21)9-13)1-4-12-5-2-11-3-6-15(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b4-1+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer (integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087436
PNG
(2-(3,5-dihydroxystyryl)-8-hydroxyquinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)cc(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-10(8-14(21)9-13)1-4-12-5-2-11-3-6-15(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b4-1+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087436
PNG
(2-(3,5-dihydroxystyryl)-8-hydroxyquinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)cc(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-10(8-14(21)9-13)1-4-12-5-2-11-3-6-15(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b4-1+
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n/an/a 3.20E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087427
PNG
((E)-8-hydroxy-2-(3-hydroxy-4-methoxystyryl)quinoli...)
Show SMILES COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C19H15NO5/c1-25-16-9-3-11(10-15(16)21)2-6-13-7-4-12-5-8-14(19(23)24)18(22)17(12)20-13/h2-10,21-22H,1H3,(H,23,24)/b6-2+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087434
PNG
(8-Hydroxy-2-(2-thiophen-3-yl-vinyl)-quinoline-7-ca...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccsc3)nc2c1O
Show InChI InChI=1S/C16H11NO3S/c18-15-13(16(19)20)6-3-11-2-5-12(17-14(11)15)4-1-10-7-8-21-9-10/h1-9,18H,(H,19,20)/b4-1+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 3.40E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087420
PNG
((E)-2-(4-aminostyryl)-8-hydroxyquinoline-7-carboxy...)
Show SMILES Nc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1
Show InChI InChI=1S/C18H14N2O3/c19-13-6-1-11(2-7-13)3-8-14-9-4-12-5-10-15(18(22)23)17(21)16(12)20-14/h1-10,21H,19H2,(H,22,23)/b8-3+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087425
PNG
(8-Hydroxy-2-[2-(4-hydroxy-3-methoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)ccc1O
Show InChI InChI=1S/C19H15NO5/c1-25-16-10-11(3-9-15(16)21)2-6-13-7-4-12-5-8-14(19(23)24)18(22)17(12)20-13/h2-10,21-22H,1H3,(H,23,24)/b6-2+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065790
PNG
((E)-2-(2,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3O)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-13-7-3-10(15(21)9-13)1-5-12-6-2-11-4-8-14(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087423
PNG
((E)-2-(3,4-dihydroxy-5-iodostyryl)-8-hydroxyquinol...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(O)c(O)c(I)c3)nc2c1O
Show InChI InChI=1S/C18H12INO5/c19-13-7-9(8-14(21)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)20-11/h1-8,21-23H,(H,24,25)/b4-1+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087422
PNG
((E)-8-hydroxy-2-(2-(pyridin-3-yl)vinyl)quinoline-7...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cccnc3)nc2c1O
Show InChI InChI=1S/C17H12N2O3/c20-16-14(17(21)22)8-5-12-4-7-13(19-15(12)16)6-3-11-2-1-9-18-10-11/h1-10,20H,(H,21,22)/b6-3+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
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n/an/a 4.20E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
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