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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'de grazia' and Initial = 's'   
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)
BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase after 1 hr by ELISA


Eur J Med Chem 46: 756-64 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.012
BindingDB Entry DOI: 10.7270/Q23B62ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479396
PNG
(CHEMBL521567)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)18(27)10-17(26)14-12-25(11-13-6-4-7-15(23)21(13)24)16-8-5-9-19(29-2)20(14)16/h4-10,12,27H,3,11H2,1-2H3/b18-10-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase after 1 hr by ELISA


Eur J Med Chem 46: 756-64 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.012
BindingDB Entry DOI: 10.7270/Q23B62ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479402
PNG
(CHEMBL495952)
Show SMILES COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479403
PNG
(CHEMBL523901)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(21)7-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479396
PNG
(CHEMBL521567)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)18(27)10-17(26)14-12-25(11-13-6-4-7-15(23)21(13)24)16-8-5-9-19(29-2)20(14)16/h4-10,12,27H,3,11H2,1-2H3/b18-10-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479404
PNG
(CHEMBL499475)
Show SMILES COc1cccc2n(Cc3cc(F)ccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(21)5-6-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479403
PNG
(CHEMBL523901)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(21)7-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479411
PNG
(CHEMBL525898)
Show SMILES COc1cccc2n(Cc3cccc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-7-3-6-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-4-2-5-13(21)8-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479411
PNG
(CHEMBL525898)
Show SMILES COc1cccc2n(Cc3cccc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-7-3-6-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-4-2-5-13(21)8-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482537
PNG
(CHEMBL1213723)
Show SMILES COc1cccc2n(Cc3cccc(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16ClNO5/c1-27-18-7-3-6-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-4-2-5-13(21)8-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482546
PNG
(CHEMBL1213788)
Show SMILES COc1cccc2n(Cc3cccc(Cl)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482530
PNG
(CHEMBL1213789)
Show SMILES COc1cccc2n(Cc3ccc(F)c(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)12(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-14(22)13(21)7-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479401
PNG
(CHEMBL497605)
Show SMILES COc1cccc2n(Cc3ccccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-8-4-7-15-19(18)13(16(23)9-17(24)20(25)26)11-22(15)10-12-5-2-3-6-14(12)21/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479404
PNG
(CHEMBL499475)
Show SMILES COc1cccc2n(Cc3cc(F)ccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(21)5-6-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482527
PNG
(CHEMBL1213726)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3Cl)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-12(22)7-14(11)21/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479415
PNG
(CHEMBL498202)
Show SMILES COc1cccc2n(Cc3cc(F)c(F)c(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-17-4-2-3-14-18(17)11(15(25)7-16(26)20(27)28)9-24(14)8-10-5-12(21)19(23)13(22)6-10/h2-7,9,26H,8H2,1H3,(H,27,28)/b16-7-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479398
PNG
(CHEMBL496380)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)cccc2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)19(27)10-18(26)14-12-25(11-13-15(23)6-4-7-16(13)24)17-8-5-9-20(29-2)21(14)17/h4-10,12,27H,3,11H2,1-2H3/b19-10-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479401
PNG
(CHEMBL497605)
Show SMILES COc1cccc2n(Cc3ccccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-8-4-7-15-19(18)13(16(23)9-17(24)20(25)26)11-22(15)10-12-5-2-3-6-14(12)21/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482541
PNG
(CHEMBL1214536)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)c(Cl)c2)c2cccc(OC)c12
Show InChI InChI=1S/C22H19ClFNO5/c1-3-30-22(28)19(27)10-18(26)14-12-25(11-13-7-8-16(24)15(23)9-13)17-5-4-6-20(29-2)21(14)17/h4-10,12,27H,3,11H2,1-2H3/b19-10-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase after 1 hr by ELISA


Eur J Med Chem 46: 756-64 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.012
BindingDB Entry DOI: 10.7270/Q23B62ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479412
PNG
(CHEMBL495540)
Show SMILES COc1cccc2n(Cc3c(F)cccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-7-3-6-15-19(18)12(16(24)8-17(25)20(26)27)10-23(15)9-11-13(21)4-2-5-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482540
PNG
(CHEMBL1213791)
Show SMILES COc1cccc2n(Cc3cc(Cl)ccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(21)5-6-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479415
PNG
(CHEMBL498202)
Show SMILES COc1cccc2n(Cc3cc(F)c(F)c(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-17-4-2-3-14-18(17)11(15(25)7-16(26)20(27)28)9-24(14)8-10-5-12(21)19(23)13(22)6-10/h2-7,9,26H,8H2,1H3,(H,27,28)/b16-7-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479397
PNG
(CHEMBL496580)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H19F2NO5/c1-3-30-22(28)19(27)10-18(26)15-12-25(11-13-7-8-14(23)9-16(13)24)17-5-4-6-20(29-2)21(15)17/h4-10,12,27H,3,11H2,1-2H3/b19-10-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479402
PNG
(CHEMBL495952)
Show SMILES COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-17-7-3-6-14-18(17)12(15(24)8-16(25)20(26)27)10-23(14)9-11-4-2-5-13(21)19(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b16-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482530
PNG
(CHEMBL1213789)
Show SMILES COc1cccc2n(Cc3ccc(F)c(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)12(16(24)8-17(25)20(26)27)10-23(15)9-11-5-6-14(22)13(21)7-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479412
PNG
(CHEMBL495540)
Show SMILES COc1cccc2n(Cc3c(F)cccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-7-3-6-15-19(18)12(16(24)8-17(25)20(26)27)10-23(15)9-11-13(21)4-2-5-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479413
PNG
(CHEMBL526283)
Show SMILES COc1cccc2n(Cc3c(F)ccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-17-4-2-3-14-18(17)11(15(25)7-16(26)20(27)28)9-24(14)8-10-12(21)5-6-13(22)19(10)23/h2-7,9,26H,8H2,1H3,(H,27,28)/b16-7-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482537
PNG
(CHEMBL1213723)
Show SMILES COc1cccc2n(Cc3cccc(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16ClNO5/c1-27-18-7-3-6-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-4-2-5-13(21)8-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482529
PNG
(CHEMBL1213787)
Show SMILES COc1cccc2n(Cc3c(F)cccc3Cl)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-7-3-6-15-19(18)12(16(24)8-17(25)20(26)27)10-23(15)9-11-13(21)4-2-5-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479406
PNG
(CHEMBL521569)
Show SMILES COc1cccc2n(Cc3ccc(F)c(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-16-4-2-3-13-17(16)11(14(25)7-15(26)20(27)28)9-24(13)8-10-5-6-12(21)19(23)18(10)22/h2-7,9,26H,8H2,1H3,(H,27,28)/b15-7-
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n/an/a 140n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479413
PNG
(CHEMBL526283)
Show SMILES COc1cccc2n(Cc3c(F)ccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-17-4-2-3-14-18(17)11(15(25)7-16(26)20(27)28)9-24(14)8-10-12(21)5-6-13(22)19(10)23/h2-7,9,26H,8H2,1H3,(H,27,28)/b16-7-
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n/an/a 160n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479410
PNG
(CHEMBL498204)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)ccc(F)c2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H18F3NO5/c1-3-31-22(29)18(28)9-17(27)13-11-26(16-5-4-6-19(30-2)20(13)16)10-12-14(23)7-8-15(24)21(12)25/h4-9,11,28H,3,10H2,1-2H3/b18-9-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479405
PNG
(CHEMBL524066)
Show SMILES COc1cccc2n(Cc3cc(F)cc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)14(16(24)8-17(25)20(26)27)10-23(15)9-11-5-12(21)7-13(22)6-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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n/an/a 240n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482531
PNG
(CHEMBL1213790)
Show SMILES COc1cccc2n(Cc3cc(F)cc(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)14(16(24)8-17(25)20(26)27)10-23(15)9-11-5-12(21)7-13(22)6-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482531
PNG
(CHEMBL1213790)
Show SMILES COc1cccc2n(Cc3cc(F)cc(Cl)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)14(16(24)8-17(25)20(26)27)10-23(15)9-11-5-12(21)7-13(22)6-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483358
PNG
(CHEMBL1669249)
Show SMILES COc1cc(OC)c2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c2c1
Show InChI InChI=1S/C21H18FNO6/c1-28-14-7-15-16(17(24)9-18(25)21(26)27)11-23(20(15)19(8-14)29-2)10-12-3-5-13(22)6-4-12/h3-9,11,25H,10H2,1-2H3,(H,26,27)/b18-9-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase after 1 hr by ELISA


Eur J Med Chem 46: 756-64 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.012
BindingDB Entry DOI: 10.7270/Q23B62ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482528
PNG
(CHEMBL1213727)
Show SMILES COc1cccc2n(Cc3cc(F)ccc3Cl)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(22)5-6-14(11)21/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479406
PNG
(CHEMBL521569)
Show SMILES COc1cccc2n(Cc3ccc(F)c(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H14F3NO5/c1-29-16-4-2-3-13-17(16)11(14(25)7-15(26)20(27)28)9-24(13)8-10-5-6-12(21)19(23)18(10)22/h2-7,9,26H,8H2,1H3,(H,27,28)/b15-7-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479408
PNG
(CHEMBL495970)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2)c2cccc(OC)c12
Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)19(26)11-18(25)16-13-24(12-14-6-4-7-15(23)10-14)17-8-5-9-20(28-2)21(16)17/h4-11,13,26H,3,12H2,1-2H3/b19-11-
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Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482540
PNG
(CHEMBL1213791)
Show SMILES COc1cccc2n(Cc3cc(Cl)ccc3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15ClFNO5/c1-28-18-4-2-3-15-19(18)13(16(24)8-17(25)20(26)27)10-23(15)9-11-7-12(21)5-6-14(11)22/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

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Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
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