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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Rous sarcoma virus integrase' AND taxid = 11888   
Target
(Institution)
LigandTarget
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
Rous sarcoma virus integrase


(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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
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 7.40E+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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
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 1.03E+4n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
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 2.09E+4n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065786
PNG
(2-[(E)-2-(3,4-Dihydroxy-phenyl)-vinyl]-8-hydroxy-q...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C#N)c(O)c3n2)cc1O
Show InChI InChI=1S/C18H12N2O3/c19-10-13-4-3-12-5-7-14(20-17(12)18(13)23)6-1-11-2-8-15(21)16(22)9-11/h1-9,21-23H/b6-1+
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n/an/a 3.80E+4n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
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 3.83E+4n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065787
PNG
(4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O
Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
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n/an/a 6.51E+4n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065789
PNG
(2-((E)-Styryl)-quinolin-8-ol | 2-Styryl-quinolin-8...)
Show SMILES Oc1cccc2ccc(\C=C\c3ccccc3)nc12
Show InChI InChI=1S/C17H13NO/c19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13/h1-12,19H/b11-9+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065800
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-methyl...)
Show SMILES Cc1ccc2cccc(OC(=O)\C=C\c3ccc(O)c(O)c3)c2n1
Show InChI InChI=1S/C19H15NO4/c1-12-5-8-14-3-2-4-17(19(14)20-12)24-18(23)10-7-13-6-9-15(21)16(22)11-13/h2-11,21-22H,1H3/b10-7+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065791
PNG
(4-[(E)-2-(8-Amino-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Nc1cccc2ccc(\C=C\c3ccc(O)c(O)c3)nc12
Show InChI InChI=1S/C17H14N2O2/c18-14-3-1-2-12-6-8-13(19-17(12)14)7-4-11-5-9-15(20)16(21)10-11/h1-10,20-21H,18H2/b7-4+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065798
PNG
(Acetic acid 2-((E)-styryl)-quinolin-8-yl ester | A...)
Show SMILES CC(=O)Oc1cccc2ccc(\C=C\c3ccccc3)nc12
Show InChI InChI=1S/C19H15NO2/c1-14(21)22-18-9-5-8-16-11-13-17(20-19(16)18)12-10-15-6-3-2-4-7-15/h2-13H,1H3/b12-10+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065802
PNG
(Acetic acid 2-acetoxy-5-[(E)-2-(8-acetoxy-quinolin...)
Show SMILES CC(=O)Oc1ccc(\C=C\c2ccc3cccc(OC(C)=O)c3n2)cc1OC(C)=O
Show InChI InChI=1S/C23H19NO6/c1-14(25)28-20-12-8-17(13-22(20)30-16(3)27)7-10-19-11-9-18-5-4-6-21(23(18)24-19)29-15(2)26/h4-13H,1-3H3/b10-7+
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n/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair