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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'al-mawsawi' and Initial = 'lq'   
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)
BDBM50477985
PNG
(CHEMBL412149)
Show SMILES COc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OC |c:8|
Show InChI InChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6H,1-3H3,(H,16,17,19,20)/b9-4-
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n/an/a 4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477992
PNG
(CHEMBL429327)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OCC |c:9|
Show InChI InChI=1S/C16H17ClN6O3/c1-4-25-13-8-10(7-12(17)14(13)26-5-2)6-11-9(3)20-23(15(11)24)16-18-21-22-19-16/h6-8H,4-5H2,1-3H3,(H,18,19,21,22)/b11-6-
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n/an/a 4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477995
PNG
(CHEMBL407352)
Show SMILES OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C13H9N3O4S/c17-10(18)7-21-13-14-11(8-3-1-5-19-8)12(15-16-13)9-4-2-6-20-9/h1-6H,7H2,(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477985
PNG
(CHEMBL412149)
Show SMILES COc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OC |c:8|
Show InChI InChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6H,1-3H3,(H,16,17,19,20)/b9-4-
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n/an/a 5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477998
PNG
(CHEMBL272420)
Show SMILES COc1ccc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc1OCc1ccccc1Cl |c:9|
Show InChI InChI=1S/C20H17ClN6O3/c1-12-15(19(28)27(24-12)20-22-25-26-23-20)9-13-7-8-17(29-2)18(10-13)30-11-14-5-3-4-6-16(14)21/h3-10H,11H2,1-2H3,(H,22,23,25,26)/b15-9-
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n/an/a 5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477993
PNG
(CHEMBL406595)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2N3O4S/c16-8-2-1-5(3-9(8)17)19-13(22)11-10(18)6-4-7(15(23)24)12(21)20-14(6)25-11/h1-4H,18H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477992
PNG
(CHEMBL429327)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc(Cl)c1OCC |c:9|
Show InChI InChI=1S/C16H17ClN6O3/c1-4-25-13-8-10(7-12(17)14(13)26-5-2)6-11-9(3)20-23(15(11)24)16-18-21-22-19-16/h6-8H,4-5H2,1-3H3,(H,18,19,21,22)/b11-6-
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n/an/a 7n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478002
PNG
(CHEMBL408699)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@@H](CO)C(C)C
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-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477997
PNG
(CHEMBL273128)
Show SMILES CC(C)[C@H](CO)n1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12
Show InChI InChI=1S/C22H21ClFNO4/c1-12(2)19(11-26)25-10-16(22(28)29)21(27)15-9-13(6-7-18(15)25)8-14-4-3-5-17(23)20(14)24/h3-7,9-10,12,19,26H,8,11H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50183274
PNG
(6-(3-Chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-7-m...)
Show SMILES COc1cc2n(CCO)cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F
Show InChI InChI=1S/C20H17ClFNO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)
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n/an/a 9.10n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477983
PNG
(CHEMBL272194)
Show SMILES CC1=NN(C(=O)\C1=C/c1cc(Cl)c(O)c(Cl)c1)c1nnn[nH]1 |t:1|
Show InChI InChI=1S/C12H8Cl2N6O2/c1-5-7(2-6-3-8(13)10(21)9(14)4-6)11(22)20(17-5)12-15-18-19-16-12/h2-4,21H,1H3,(H,15,16,18,19)/b7-2-
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n/an/a 11n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477983
PNG
(CHEMBL272194)
Show SMILES CC1=NN(C(=O)\C1=C/c1cc(Cl)c(O)c(Cl)c1)c1nnn[nH]1 |t:1|
Show InChI InChI=1S/C12H8Cl2N6O2/c1-5-7(2-6-3-8(13)10(21)9(14)4-6)11(22)20(17-5)12-15-18-19-16-12/h2-4,21H,1H3,(H,15,16,18,19)/b7-2-
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n/an/a 13n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477993
PNG
(CHEMBL406595)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl2N3O4S/c16-8-2-1-5(3-9(8)17)19-13(22)11-10(18)6-4-7(15(23)24)12(21)20-14(6)25-11/h1-4H,18H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477998
PNG
(CHEMBL272420)
Show SMILES COc1ccc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)cc1OCc1ccccc1Cl |c:9|
Show InChI InChI=1S/C20H17ClN6O3/c1-12-15(19(28)27(24-12)20-22-25-26-23-20)9-13-7-8-17(29-2)18(10-13)30-11-14-5-3-4-6-16(14)21/h3-10H,11H2,1-2H3,(H,22,23,25,26)/b15-9-
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n/an/a 14n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50443463
PNG
(CHEMBL406596)
Show SMILES Cc1ccc(cc1NC(=O)CSc1nc2ccccc2s1)C(O)=O
Show InChI InChI=1S/C17H14N2O3S2/c1-10-6-7-11(16(21)22)8-13(10)18-15(20)9-23-17-19-12-4-2-3-5-14(12)24-17/h2-8H,9H2,1H3,(H,18,20)(H,21,22)
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n/an/a 17n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477995
PNG
(CHEMBL407352)
Show SMILES OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C13H9N3O4S/c17-10(18)7-21-13-14-11(8-3-1-5-19-8)12(15-16-13)9-4-2-6-20-9/h1-6H,7H2,(H,17,18)
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n/an/a 18n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478000
PNG
(CHEMBL261833)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O6S/c29-25(27-23-12-6-4-10-21(23)26(30)31)22-11-5-7-13-24(22)35(32,33)28-18-14-16-20(17-15-18)34-19-8-2-1-3-9-19/h1-17,28H,(H,27,29)(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477986
PNG
(CHEMBL272642)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O3S/c1-11-2-7-14-15(10-11)24-18(20-14)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/b9-8+
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n/an/a 23n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50183276
PNG
(6-(3-chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-4-o...)
Show SMILES OCCn1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12
Show InChI InChI=1S/C19H15ClFNO4/c20-15-3-1-2-12(17(15)21)8-11-4-5-16-13(9-11)18(24)14(19(25)26)10-22(16)6-7-23/h1-5,9-10,23H,6-8H2,(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477989
PNG
(CHEMBL272448)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H23NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-2,5-8,11-15,20-21H,3-4,9-10H2,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478000
PNG
(CHEMBL261833)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O6S/c29-25(27-23-12-6-4-10-21(23)26(30)31)22-11-5-7-13-24(22)35(32,33)28-18-14-16-20(17-15-18)34-19-8-2-1-3-9-19/h1-17,28H,(H,27,29)(H,30,31)
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n/an/a 42n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477999
PNG
(CHEMBL260960)
Show SMILES COc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(O)=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-24-8-4-2-3-7(5-8)18-14(21)12-11(17)9-6-10(16(22)23)13(20)19-15(9)25-12/h2-6H,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)
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n/an/a 43n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50235312
PNG
(6-(3-chloro-2-fluorobenzyl)-4-oxo-1,4-dihydroquino...)
Show SMILES OC(=O)c1cnc2ccc(Cc3cccc(Cl)c3F)cc2c1O
Show InChI InChI=1S/C17H11ClFNO3/c18-13-3-1-2-10(15(13)19)6-9-4-5-14-11(7-9)16(21)12(8-20-14)17(22)23/h1-5,7-8H,6H2,(H,20,21)(H,22,23)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477994
PNG
(CHEMBL272419)
Show SMILES OC(C(O)c1nc2cc3ccccc3cc2[nH]1)C(O)=O
Show InChI InChI=1S/C14H12N2O4/c17-11(12(18)14(19)20)13-15-9-5-7-3-1-2-4-8(7)6-10(9)16-13/h1-6,11-12,17-18H,(H,15,16)(H,19,20)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477986
PNG
(CHEMBL272642)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C18H14N2O3S/c1-11-2-7-14-15(10-11)24-18(20-14)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/b9-8+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478001
PNG
(CHEMBL272418)
Show SMILES CCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,20,21,22,23,24)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477984
PNG
(CHEMBL260096)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)ccc1OC |c:9|
Show InChI InChI=1S/C15H16N6O3/c1-4-24-13-8-10(5-6-12(13)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3,(H,16,17,19,20)/b11-7-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477991
PNG
(CHEMBL405927)
Show SMILES OC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C20H13ClN2O2S/c21-15-8-6-13(7-9-15)16-10-18(14-4-2-1-3-5-14)23-20(17(16)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477996
PNG
(CHEMBL272193)
Show SMILES CCOc1cc(ccc1\C=C1\C(C)=NN(C1=O)c1nnn[nH]1)N(CC)CC |c:13|
Show InChI InChI=1S/C18H23N7O2/c1-5-24(6-2)14-9-8-13(16(11-14)27-7-3)10-15-12(4)21-25(17(15)26)18-19-22-23-20-18/h8-11H,5-7H2,1-4H3,(H,19,20,22,23)/b15-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50443463
PNG
(CHEMBL406596)
Show SMILES Cc1ccc(cc1NC(=O)CSc1nc2ccccc2s1)C(O)=O
Show InChI InChI=1S/C17H14N2O3S2/c1-10-6-7-11(16(21)22)8-13(10)18-15(20)9-23-17-19-12-4-2-3-5-14(12)24-17/h2-8H,9H2,1H3,(H,18,20)(H,21,22)
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477996
PNG
(CHEMBL272193)
Show SMILES CCOc1cc(ccc1\C=C1\C(C)=NN(C1=O)c1nnn[nH]1)N(CC)CC |c:13|
Show InChI InChI=1S/C18H23N7O2/c1-5-24(6-2)14-9-8-13(16(11-14)27-7-3)10-15-12(4)21-25(17(15)26)18-19-22-23-20-18/h8-11H,5-7H2,1-4H3,(H,19,20,22,23)/b15-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM26602
PNG
(2-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O6S2/c25-16(26)11-23-14-9-5-4-8-13(14)17(19(23)27)18-20(28)24(22(31)32-18)15(21(29)30)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,25,26)(H,29,30)/b18-17-
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477984
PNG
(CHEMBL260096)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)ccc1OC |c:9|
Show InChI InChI=1S/C15H16N6O3/c1-4-24-13-8-10(5-6-12(13)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3,(H,16,17,19,20)/b11-7-
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477999
PNG
(CHEMBL260960)
Show SMILES COc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(O)=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-24-8-4-2-3-7(5-8)18-14(21)12-11(17)9-6-10(16(22)23)13(20)19-15(9)25-12/h2-6H,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM26602
PNG
(2-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O6S2/c25-16(26)11-23-14-9-5-4-8-13(14)17(19(23)27)18-20(28)24(22(31)32-18)15(21(29)30)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,25,26)(H,29,30)/b18-17-
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477991
PNG
(CHEMBL405927)
Show SMILES OC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C20H13ClN2O2S/c21-15-8-6-13(7-9-15)16-10-18(14-4-2-1-3-5-14)23-20(17(16)11-22)26-12-19(24)25/h1-10H,12H2,(H,24,25)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477989
PNG
(CHEMBL272448)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H23NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-2,5-8,11-15,20-21H,3-4,9-10H2,(H,25,26)(H,27,28)
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478001
PNG
(CHEMBL272418)
Show SMILES CCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,20,21,22,23,24)
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477994
PNG
(CHEMBL272419)
Show SMILES OC(C(O)c1nc2cc3ccccc3cc2[nH]1)C(O)=O
Show InChI InChI=1S/C14H12N2O4/c17-11(12(18)14(19)20)13-15-9-5-7-3-1-2-4-8(7)6-10(9)16-13/h1-6,11-12,17-18H,(H,15,16)(H,19,20)
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477987
PNG
(CHEMBL272204)
Show SMILES OC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C15H17N5O3S/c21-12(22)10-24-15-18-13(16-11-4-2-1-3-5-11)17-14(19-15)20-6-8-23-9-7-20/h1-5H,6-10H2,(H,21,22)(H,16,17,18,19)
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Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477988
PNG
(CHEMBL258814)
Show SMILES OC(=O)CSc1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C13H9F3N2O2S/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-12(18-10)21-7-11(19)20/h1-6H,7H2,(H,19,20)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477987
PNG
(CHEMBL272204)
Show SMILES OC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C15H17N5O3S/c21-12(22)10-24-15-18-13(16-11-4-2-1-3-5-11)17-14(19-15)20-6-8-23-9-7-20/h1-5H,6-10H2,(H,21,22)(H,16,17,18,19)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477990
PNG
(CHEMBL258815)
Show SMILES OC(=O)CSc1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C11H7F3N2O2S2/c12-11(13,14)8-4-6(7-2-1-3-19-7)15-10(16-8)20-5-9(17)18/h1-4H,5H2,(H,17,18)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477988
PNG
(CHEMBL258814)
Show SMILES OC(=O)CSc1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C13H9F3N2O2S/c14-13(15,16)10-6-9(8-4-2-1-3-5-8)17-12(18-10)21-7-11(19)20/h1-6H,7H2,(H,19,20)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477990
PNG
(CHEMBL258815)
Show SMILES OC(=O)CSc1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C11H7F3N2O2S2/c12-11(13,14)8-4-6(7-2-1-3-19-7)15-10(16-8)20-5-9(17)18/h1-4H,5H2,(H,17,18)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 49: 4248-60 (2006)


Article DOI: 10.1021/jm060193m
BindingDB Entry DOI: 10.7270/Q2T15384
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477606
PNG
(CHEMBL240506)
Show SMILES Oc1c(\C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C22H17BrN8O3/c23-15-11-14(19(32)18(12-15)31(33)34)13-24-30-22-28-20(25-16-7-3-1-4-8-16)27-21(29-22)26-17-9-5-2-6-10-17/h1-13,32H,(H3,25,26,27,28,29,30)/b24-13+
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n/an/a 600n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


Bioorg Med Chem 15: 4985-5002 (2007)


Article DOI: 10.1016/j.bmc.2007.04.041
BindingDB Entry DOI: 10.7270/Q2SN0CRQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477541
PNG
(CHEMBL241597)
Show SMILES Oc1c(C(=O)NNC(=O)c2cccc(c2)[N+]([O-])=O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H12N4O6/c22-14-11-6-1-2-7-12(11)18-16(24)13(14)17(25)20-19-15(23)9-4-3-5-10(8-9)21(26)27/h1-8H,(H,19,23)(H,20,25)(H2,18,22,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


Bioorg Med Chem 15: 4985-5002 (2007)


Article DOI: 10.1016/j.bmc.2007.04.041
BindingDB Entry DOI: 10.7270/Q2SN0CRQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477606
PNG
(CHEMBL240506)
Show SMILES Oc1c(\C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C22H17BrN8O3/c23-15-11-14(19(32)18(12-15)31(33)34)13-24-30-22-28-20(25-16-7-3-1-4-8-16)27-21(29-22)26-17-9-5-2-6-10-17/h1-13,32H,(H3,25,26,27,28,29,30)/b24-13+
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


Bioorg Med Chem 15: 4985-5002 (2007)


Article DOI: 10.1016/j.bmc.2007.04.041
BindingDB Entry DOI: 10.7270/Q2SN0CRQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477550
PNG
(CHEMBL388276)
Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2)c1O
Show InChI InChI=1S/C16H14O3/c1-19-15-9-5-8-13(16(15)18)10-11-14(17)12-6-3-2-4-7-12/h2-11,18H,1H3/b11-10+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


Bioorg Med Chem 15: 4985-5002 (2007)


Article DOI: 10.1016/j.bmc.2007.04.041
BindingDB Entry DOI: 10.7270/Q2SN0CRQ
More data for this
Ligand-Target Pair
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