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PubMed code 26487913

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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)		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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n/an/a 7n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
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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n/an/a 50n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499576
PNG
(CHEMBL3741323)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499565
PNG
(CHEMBL3740792)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499576
PNG
(CHEMBL3741323)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499565
PNG
(CHEMBL3740792)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499568
PNG
(CHEMBL3739466)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499568
PNG
(CHEMBL3739466)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499572
PNG
(CHEMBL3739970)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H21FN2O5/c1-33-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-29)27(24)19-6-8-20(9-7-19)28(31)32/h2-13,25,29H,14-15H2,1H3
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University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499579
PNG
(CHEMBL3740311)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(cc1)C#N)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H21N3O4/c1-17(30)13-26-24-15-22(29(31)32)10-5-20(24)14-25(19-6-11-23(33-2)12-7-19)28(26)21-8-3-18(16-27)4-9-21/h3-12,14-15,26H,13H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499579
PNG
(CHEMBL3740311)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(cc1)C#N)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H21N3O4/c1-17(30)13-26-24-15-22(29(31)32)10-5-20(24)14-25(19-6-11-23(33-2)12-7-19)28(26)21-8-3-18(16-27)4-9-21/h3-12,14-15,26H,13H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499575
PNG
(CHEMBL3740012)
Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6|
Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499575
PNG
(CHEMBL3740012)
Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6|
Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499567
PNG
(CHEMBL3742287)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H23FN2O5/c1-16(30)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(34-2)12-5-17)28(25)20-7-9-21(10-8-20)29(32)33/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499567
PNG
(CHEMBL3742287)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C26H23FN2O5/c1-16(30)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(34-2)12-5-17)28(25)20-7-9-21(10-8-20)29(32)33/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499577
PNG
(CHEMBL3739763)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(O)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H22N2O5/c1-16(28)13-25-23-15-20(27(30)31)6-3-18(23)14-24(17-4-11-22(32-2)12-5-17)26(25)19-7-9-21(29)10-8-19/h3-12,14-15,25,29H,13H2,1-2H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499578
PNG
(CHEMBL3739984)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C26H21FN2O3/c1-32-23-10-5-18(6-11-23)25-12-19-4-7-20(27)13-24(19)26(14-22(31)16-30)29(25)21-8-2-17(15-28)3-9-21/h2-13,26,30H,14,16H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499577
PNG
(CHEMBL3739763)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(O)cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H22N2O5/c1-16(28)13-25-23-15-20(27(30)31)6-3-18(23)14-24(17-4-11-22(32-2)12-5-17)26(25)19-7-9-21(29)10-8-19/h3-12,14-15,25,29H,13H2,1-2H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499578
PNG
(CHEMBL3739984)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C26H21FN2O3/c1-32-23-10-5-18(6-11-23)25-12-19-4-7-20(27)13-24(19)26(14-22(31)16-30)29(25)21-8-2-17(15-28)3-9-21/h2-13,26,30H,14,16H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499582
PNG
(CHEMBL3742037)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C26H23F2NO3/c1-16(30)26(31)15-25-23-14-20(28)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-7-19(27)8-10-21/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499582
PNG
(CHEMBL3742037)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C26H23F2NO3/c1-16(30)26(31)15-25-23-14-20(28)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-7-19(27)8-10-21/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499573
PNG
(CHEMBL3741789)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499566
PNG
(CHEMBL3742275)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C26H23ClFNO3/c1-16(30)26(31)15-25-23-14-20(28)8-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-6-19(27)7-10-21/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499566
PNG
(CHEMBL3742275)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C26H23ClFNO3/c1-16(30)26(31)15-25-23-14-20(28)8-3-18(23)13-24(17-4-11-22(32-2)12-5-17)29(25)21-9-6-19(27)7-10-21/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499569
PNG
(CHEMBL3741160)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C25H22FNO3/c1-16(28)13-25-23-15-19(26)6-3-18(23)14-24(17-4-11-22(30-2)12-5-17)27(25)20-7-9-21(29)10-8-20/h3-12,14-15,25,29H,13H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499573
PNG
(CHEMBL3741789)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C27H26FNO3/c1-17-4-10-22(11-5-17)29-25(19-7-12-23(32-3)13-8-19)14-20-6-9-21(28)15-24(20)26(29)16-27(31)18(2)30/h4-15,18,26,30H,16H2,1-3H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499569
PNG
(CHEMBL3741160)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C25H22FNO3/c1-16(28)13-25-23-15-19(26)6-3-18(23)14-24(17-4-11-22(30-2)12-5-17)27(25)20-7-9-21(29)10-8-20/h3-12,14-15,25,29H,13H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499571
PNG
(CHEMBL3741987)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C26H24FNO3/c1-17-3-9-21(10-4-17)28-25(18-6-11-23(31-2)12-7-18)13-19-5-8-20(27)14-24(19)26(28)15-22(30)16-29/h3-14,26,29H,15-16H2,1-2H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499580
PNG
(CHEMBL3739597)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C25H21ClFNO3/c1-31-22-10-3-16(4-11-22)24-12-17-2-7-19(27)13-23(17)25(14-21(30)15-29)28(24)20-8-5-18(26)6-9-20/h2-13,25,29H,14-15H2,1H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499571
PNG
(CHEMBL3741987)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(C)cc1 |t:9|
Show InChI InChI=1S/C26H24FNO3/c1-17-3-9-21(10-4-17)28-25(18-6-11-23(31-2)12-7-18)13-19-5-8-20(27)14-24(19)26(28)15-22(30)16-29/h3-14,26,29H,15-16H2,1-2H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499580
PNG
(CHEMBL3739597)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C25H21ClFNO3/c1-31-22-10-3-16(4-11-22)24-12-17-2-7-19(27)13-23(17)25(14-21(30)15-29)28(24)20-8-5-18(26)6-9-20/h2-13,25,29H,14-15H2,1H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499570
PNG
(CHEMBL3740056)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(C)=O)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C26H21FN2O2/c1-17(30)13-26-24-15-21(27)8-5-20(24)14-25(19-6-11-23(31-2)12-7-19)29(26)22-9-3-18(16-28)4-10-22/h3-12,14-15,26H,13H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499583
PNG
(CHEMBL3741049)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C25H22FNO4/c1-31-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-28)27(24)19-6-8-20(29)9-7-19/h2-13,25,28-29H,14-15H2,1H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499581
PNG
(CHEMBL3740456)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499583
PNG
(CHEMBL3741049)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C25H22FNO4/c1-31-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-28)27(24)19-6-8-20(29)9-7-19/h2-13,25,28-29H,14-15H2,1H3
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499581
PNG
(CHEMBL3740456)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3
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n/an/a 2.22E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499574
PNG
(CHEMBL3741857)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C26H24FNO4/c1-16(29)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)28(25)20-7-9-21(30)10-8-20/h3-14,16,25,29-30H,15H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499574
PNG
(CHEMBL3741857)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C26H24FNO4/c1-16(29)26(31)15-25-23-14-19(27)6-3-18(23)13-24(17-4-11-22(32-2)12-5-17)28(25)20-7-9-21(30)10-8-20/h3-14,16,25,29-30H,15H2,1-2H3
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n/an/a 2.52E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50499572
PNG
(CHEMBL3739970)
Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C25H21FN2O5/c1-33-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-29)27(24)19-6-8-20(9-7-19)28(31)32/h2-13,25,29H,14-15H2,1H3
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n/an/a 4.64E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...

ACS Med Chem Lett 6: 1065-70 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00230
BindingDB Entry DOI: 10.7270/Q2348PDM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%