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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50005273   
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)
BDBM50490533
PNG
(CHEMBL2095083 | DNDI1417926)
Show SMILES Fc1ccc(cc1)C(CC(=O)c1cccs1)Sc1cccc2cccnc12
Show InChI InChI=1S/C22H16FNOS2/c23-17-10-8-15(9-11-17)21(14-18(25)19-7-3-13-26-19)27-20-6-1-4-16-5-2-12-24-22(16)20/h1-13,21H,14H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490534
PNG
(CHEMBL2325746 | Quinolin-8-yl tosylcarbamate)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C17H14N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-17(20)23-15-6-2-4-13-5-3-11-18-16(13)15/h2-11H,1H3,(H,19,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM49181
PNG
(5-(4-Benzyl-piperazin-1-ylmethyl)-quinolin-8-ol | ...)
Show SMILES Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12
Show InChI InChI=1S/C21H23N3O/c25-20-9-8-18(19-7-4-10-22-21(19)20)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490535
PNG
(CHEMBL2325745)
Show SMILES CCOC(=O)C1CCCN(Cc2ccc(O)c3ncccc23)C1
Show InChI InChI=1S/C18H22N2O3/c1-2-23-18(22)14-5-4-10-20(12-14)11-13-7-8-16(21)17-15(13)6-3-9-19-17/h3,6-9,14,21H,2,4-5,10-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34860
PNG
(4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecar...)
Show SMILES CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-13-5-6-15(21)16-14(13)4-3-7-18-16/h3-7,21H,2,8-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490536
PNG
(CHEMBL2325494)
Show SMILES CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C16H21N3O/c1-2-18-8-10-19(11-9-18)12-13-5-6-15(20)16-14(13)4-3-7-17-16/h3-7,20H,2,8-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34859
PNG
(5-(m-toluidinomethyl)quinolin-8-ol | 5-[(3-methyla...)
Show SMILES Cc1cccc(NCc2ccc(O)c3ncccc23)c1
Show InChI InChI=1S/C17H16N2O/c1-12-4-2-5-14(10-12)19-11-13-7-8-16(20)17-15(13)6-3-9-18-17/h2-10,19-20H,11H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490537
PNG
(CHEMBL1486366 | DNDI1417055)
Show SMILES Oc1ccc(CNc2ccccc2F)c2cccnc12
Show InChI InChI=1S/C16H13FN2O/c17-13-5-1-2-6-14(13)19-10-11-7-8-15(20)16-12(11)4-3-9-18-16/h1-9,19-20H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490538
PNG
(CHEMBL2325492)
Show SMILES COc1cccc(NCc2ccc(O)c3ncccc23)c1
Show InChI InChI=1S/C17H16N2O2/c1-21-14-5-2-4-13(10-14)19-11-12-7-8-16(20)17-15(12)6-3-9-18-17/h2-10,19-20H,11H2,1H3
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34885
PNG
(5-(p-toluidinomethyl)quinolin-8-ol | 5-[(4-methyla...)
Show SMILES Cc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-12-4-7-14(8-5-12)19-11-13-6-9-16(20)17-15(13)3-2-10-18-17/h2-10,19-20H,11H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34858
PNG
(5-[(2,3-dimethylanilino)methyl]-8-quinolinol | 5-[...)
Show SMILES Cc1cccc(NCc2ccc(O)c3ncccc23)c1C
Show InChI InChI=1S/C18H18N2O/c1-12-5-3-7-16(13(12)2)20-11-14-8-9-17(21)18-15(14)6-4-10-19-18/h3-10,20-21H,11H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490539
PNG
(CHEMBL1566852)
Show SMILES CCOCc1ccc(O)c2ncccc12
Show InChI InChI=1S/C12H13NO2/c1-2-15-8-9-5-6-11(14)12-10(9)4-3-7-13-12/h3-7,14H,2,8H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM49361
PNG
(MLS000123591 | N-[(2-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H20N2O3/c1-3-17(23)22-19(14-8-4-5-9-16(14)25-2)15-11-10-13-7-6-12-21-18(13)20(15)24/h4-12,19,24H,3H2,1-2H3,(H,22,23)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM65595
PNG
(MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O
Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490540
PNG
(CHEMBL591361 | SJ000032159)
Show SMILES CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM47298
PNG
(BDBM64616 | US9023354, AD4-10960)
Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM55745
PNG
(MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490541
PNG
(CHEMBL1457139)
Show SMILES Oc1ccccc1C(Nc1nccs1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C19H15N3O2S/c23-15-6-2-1-5-13(15)17(22-19-21-10-11-25-19)14-8-7-12-4-3-9-20-16(12)18(14)24/h1-11,17,23-24H,(H,21,22)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490542
PNG
(CHEMBL2325491)
Show SMILES Oc1ccc(CNc2ccc(cc2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)12-4-6-13(7-5-12)22-10-11-3-8-15(23)16-14(11)2-1-9-21-16/h1-9,22-23H,10H2
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490543
PNG
(CHEMBL2094406 | DNDI1417044)
Show SMILES Cc1cccc(NCc2ccc(O)c3ncccc23)n1
Show InChI InChI=1S/C16H15N3O/c1-11-4-2-6-15(19-11)18-10-12-7-8-14(20)16-13(12)5-3-9-17-16/h2-9,20H,10H2,1H3,(H,18,19)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490544
PNG
(CHEMBL1481742)
Show SMILES Oc1ccc(CNc2cccc(c2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)12-3-1-4-13(9-12)22-10-11-6-7-15(23)16-14(11)5-2-8-21-16/h1-9,22-23H,10H2
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490545
PNG
(CHEMBL2325490)
Show SMILES Oc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12
Show InChI InChI=1S/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM64667
PNG
(MLS000715379 | N-[(4-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM96296
PNG
(MLS001203771 | N-[(5-Chloro-8-hydroxy-quinolin-7-y...)
Show SMILES CN(C)c1ccc(cc1)C(NC(C)=O)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM47298
PNG
(BDBM64616 | US9023354, AD4-10960)
Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490540
PNG
(CHEMBL591361 | SJ000032159)
Show SMILES CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C18H15ClN2O2/c1-11(22)21-16(12-6-3-2-4-7-12)14-10-15(19)13-8-5-9-20-17(13)18(14)23/h2-10,16,23H,1H3,(H,21,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490546
PNG
(CHEMBL2325747)
Show SMILES CCC(=O)NC(c1ccc(OC)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19N3O5/c1-3-17(24)22-18(12-6-8-13(28-2)9-7-12)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM64732
PNG
(MLS001204078 | N-[(8-Hydroxy-quinolin-7-yl)-phenyl...)
Show SMILES CCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H20N2O2/c1-2-7-17(23)22-18(14-8-4-3-5-9-14)16-12-11-15-10-6-13-21-19(15)20(16)24/h3-6,8-13,18,24H,2,7H2,1H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490539
PNG
(CHEMBL1566852)
Show SMILES CCOCc1ccc(O)c2ncccc12
Show InChI InChI=1S/C12H13NO2/c1-2-15-8-9-5-6-11(14)12-10(9)4-3-7-13-12/h3-7,14H,2,8H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490534
PNG
(CHEMBL2325746 | Quinolin-8-yl tosylcarbamate)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C17H14N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-17(20)23-15-6-2-4-13-5-3-11-18-16(13)15/h2-11H,1H3,(H,19,20)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM49181
PNG
(5-(4-Benzyl-piperazin-1-ylmethyl)-quinolin-8-ol | ...)
Show SMILES Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12
Show InChI InChI=1S/C21H23N3O/c25-20-9-8-18(19-7-4-10-22-21(19)20)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490547
PNG
(CHEMBL1457644)
Show SMILES Oc1ccc(CN2CCN(CC2)c2ccccc2)c2cccnc12
Show InChI InChI=1S/C20H21N3O/c24-19-9-8-16(18-7-4-10-21-20(18)19)15-22-11-13-23(14-12-22)17-5-2-1-3-6-17/h1-10,24H,11-15H2
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490535
PNG
(CHEMBL2325745)
Show SMILES CCOC(=O)C1CCCN(Cc2ccc(O)c3ncccc23)C1
Show InChI InChI=1S/C18H22N2O3/c1-2-23-18(22)14-5-4-10-20(12-14)11-13-7-8-16(21)17-15(13)6-3-9-19-17/h3,6-9,14,21H,2,4-5,10-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490536
PNG
(CHEMBL2325494)
Show SMILES CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C16H21N3O/c1-2-18-8-10-19(11-9-18)12-13-5-6-15(20)16-14(13)4-3-7-17-16/h3-7,20H,2,8-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM49364
PNG
(5-(1-piperidinylmethyl)-8-quinolinol | 5-(piperidi...)
Show SMILES Oc1ccc(CN2CCCCC2)c2cccnc12
Show InChI InChI=1S/C15H18N2O/c18-14-7-6-12(11-17-9-2-1-3-10-17)13-5-4-8-16-15(13)14/h4-8,18H,1-3,9-11H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34884
PNG
(5-[(3,4-dimethylanilino)methyl]-8-quinolinol | 5-[...)
Show SMILES Cc1ccc(NCc2ccc(O)c3ncccc23)cc1C
Show InChI InChI=1S/C18H18N2O/c1-12-5-7-15(10-13(12)2)20-11-14-6-8-17(21)18-16(14)4-3-9-19-18/h3-10,20-21H,11H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34859
PNG
(5-(m-toluidinomethyl)quinolin-8-ol | 5-[(3-methyla...)
Show SMILES Cc1cccc(NCc2ccc(O)c3ncccc23)c1
Show InChI InChI=1S/C17H16N2O/c1-12-4-2-5-14(10-12)19-11-13-7-8-16(20)17-15(13)6-3-9-18-17/h2-10,19-20H,11H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM49361
PNG
(MLS000123591 | N-[(2-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H20N2O3/c1-3-17(23)22-19(14-8-4-5-9-16(14)25-2)15-11-10-13-7-6-12-21-18(13)20(15)24/h4-12,19,24H,3H2,1-2H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34569
PNG
(1-(8-Hydroxy-quinolin-5-ylmethyl)-piperidine-4-car...)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C18H22N2O3/c1-2-23-18(22)13-7-10-20(11-8-13)12-14-5-6-16(21)17-15(14)4-3-9-19-17/h3-6,9,13,21H,2,7-8,10-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490548
PNG
(CHEMBL2325489)
Show SMILES FC(F)Oc1ccc(cc1)C(CC(=O)c1ccco1)Sc1cccc2cccnc12
Show InChI InChI=1S/C23H17F2NO3S/c24-23(25)29-17-10-8-15(9-11-17)21(14-18(27)19-6-3-13-28-19)30-20-7-1-4-16-5-2-12-26-22(16)20/h1-13,21,23H,14H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM34860
PNG
(4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecar...)
Show SMILES CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-13-5-6-15(21)16-14(13)4-3-7-18-16/h3-7,21H,2,8-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM373536
PNG
(US9903855, Molecule 3)
Show SMILES CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490549
PNG
(CHEMBL2325744)
Show SMILES Oc1ccc(CN2CCN(CC2)c2ccccn2)c2cccnc12
Show InChI InChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM55745
PNG
(MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490550
PNG
(CHEMBL2325493)
Show SMILES CN1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM76305
PNG
(5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...)
Show SMILES Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490551
PNG
(CHEMBL2325748)
Show SMILES COc1ccc(cc1OC)C(NC(C)=O)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19N3O6/c1-11(24)22-18(12-6-7-16(28-2)17(9-12)29-3)14-10-15(23(26)27)13-5-4-8-21-19(13)20(14)25/h4-10,18,25H,1-3H3,(H,22,24)
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UniChem
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
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