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PubMed code 15634005

Compile data set for download or QSAR
Found 108 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM23398
PNG
((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...)
Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1
Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50024289
PNG
(CHEMBL425146)
Show SMILES O\C(=C/C(=O)c1cc[nH]c1)c1ccc(Cc2ccc(F)cc2)o1
Show InChI InChI=1S/C18H14FNO3/c19-14-3-1-12(2-4-14)9-15-5-6-18(23-15)17(22)10-16(21)13-7-8-20-11-13/h1-8,10-11,20,22H,9H2/b17-10-
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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
Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50024288
PNG
(CHEMBL175566)
Show SMILES O\C(=C/C(=O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2)[nH]1
Show InChI InChI=1S/C16H13FN4O2/c17-11-3-1-10(2-4-11)7-12-5-6-13(20-12)14(22)8-15(23)16-18-9-19-21-16/h1-6,8-9,20,22H,7H2,(H,18,19,21)/b14-8-
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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
Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50093435
PNG
((Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tet...)
Show SMILES Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1
Show InChI InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-3,5,14H,4H2,(H,15,16,17,18)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158732
PNG
(5-{5-[(E)-2-Cyano-2-(5-methyl-1H-benzoimidazol-2-y...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccc(O)c(c1)C(O)=O)C#N |w:11.13|
Show InChI InChI=1S/C22H15N3O4/c1-12-2-5-17-18(8-12)25-21(24-17)14(11-23)9-15-4-7-20(29-15)13-3-6-19(26)16(10-13)22(27)28/h2-10,26H,1H3,(H,24,25)(H,27,28)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158706
PNG
(5-(3-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)24(22(30)31-18)10-9-19(26)23-15-7-8-17(25)16(12-15)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158710
PNG
(5-(3-{5-[1-(4-Ethoxy-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O6S2/c1-2-30-15-6-3-13(4-7-15)11-18-20(27)24(22(31)32-18)10-9-19(26)23-14-5-8-17(25)16(12-14)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158704
PNG
(5-{5-[2-(3-carboxy-4-hydroxyphenyl)-1,3-dioxo-2,3-...)
Show SMILES OC(=O)c1cc(ccc1O)N1C(=O)c2ccc(Oc3ccc4c(O)n(c(O)c4c3)-c3ccc(O)c(c3)C(O)=O)cc2C1=O
Show InChI InChI=1S/C30H18N2O11/c33-23-7-1-13(9-21(23)29(39)40)31-25(35)17-5-3-15(11-19(17)27(31)37)43-16-4-6-18-20(12-16)28(38)32(26(18)36)14-2-8-24(34)22(10-14)30(41)42/h1-12,33-35,37H,(H,39,40)(H,41,42)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158704
PNG
(5-{5-[2-(3-carboxy-4-hydroxyphenyl)-1,3-dioxo-2,3-...)
Show SMILES OC(=O)c1cc(ccc1O)N1C(=O)c2ccc(Oc3ccc4c(O)n(c(O)c4c3)-c3ccc(O)c(c3)C(O)=O)cc2C1=O
Show InChI InChI=1S/C30H18N2O11/c33-23-7-1-13(9-21(23)29(39)40)31-25(35)17-5-3-15(11-19(17)27(31)37)43-16-4-6-18-20(12-16)28(38)32(26(18)36)14-2-8-24(34)22(10-14)30(41)42/h1-12,33-35,37H,(H,39,40)(H,41,42)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158745
PNG
(5-(3-{5-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]...)
Show SMILES OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)ccc1O
Show InChI InChI=1S/C21H16N2O7S2/c24-14-3-2-12(9-13(14)20(27)28)22-18(25)5-6-23-19(26)17(32-21(23)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,22,25)(H,27,28)/b17-8-
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158706
PNG
(5-(3-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)24(22(30)31-18)10-9-19(26)23-15-7-8-17(25)16(12-15)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158732
PNG
(5-{5-[(E)-2-Cyano-2-(5-methyl-1H-benzoimidazol-2-y...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1ccc(O)c(c1)C(O)=O)C#N |w:11.13|
Show InChI InChI=1S/C22H15N3O4/c1-12-2-5-17-18(8-12)25-21(24-17)14(11-23)9-15-4-7-20(29-15)13-3-6-19(26)16(10-13)22(27)28/h2-10,26H,1H3,(H,24,25)(H,27,28)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158710
PNG
(5-(3-{5-[1-(4-Ethoxy-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O6S2/c1-2-30-15-6-3-13(4-7-15)11-18-20(27)24(22(31)32-18)10-9-19(26)23-14-5-8-17(25)16(12-14)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158741
PNG
(4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O7S2/c1-30-16-6-3-12(9-17(16)31-2)10-18-20(27)24(22(32)33-18)8-7-19(26)23-13-4-5-14(21(28)29)15(25)11-13/h3-6,9-11,25H,7-8H2,1-2H3,(H,23,26)(H,28,29)/b18-10+
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158707
PNG
(CHEMBL175758 | N-(5-Chloro-2-hydroxy-phenyl)-2-{4-...)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C21H19ClN2O6S2/c1-28-15-6-11(7-16(29-2)19(15)30-3)8-17-20(27)24(21(31)32-17)10-18(26)23-13-9-12(22)4-5-14(13)25/h4-9,25H,10H2,1-3H3,(H,23,26)/b17-8-
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158745
PNG
(5-(3-{5-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]...)
Show SMILES OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)ccc1O
Show InChI InChI=1S/C21H16N2O7S2/c24-14-3-2-12(9-13(14)20(27)28)22-18(25)5-6-23-19(26)17(32-21(23)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,22,25)(H,27,28)/b17-8-
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158752
PNG
(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES Oc1ccc(cc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-8-11(22(26)27)5-6-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158752
PNG
(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES Oc1ccc(cc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-8-11(22(26)27)5-6-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
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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
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158711
PNG
(4-(3-{5-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
Show InChI InChI=1S/C21H16N2O7S2/c24-14-9-12(2-3-13(14)20(27)28)22-18(25)5-6-23-19(26)17(32-21(23)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,22,25)(H,27,28)/b17-8-
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158715
PNG
(2-Hydroxy-5-(3-{5-[(E)-2-methyl-3-phenyl-prop-2-en...)
Show SMILES C\C(\C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C23H20N2O5S2/c1-14(11-15-5-3-2-4-6-15)12-19-21(28)25(23(31)32-19)10-9-20(27)24-16-7-8-18(26)17(13-16)22(29)30/h2-8,11-13,26H,9-10H2,1H3,(H,24,27)(H,29,30)/b14-11+,19-12-
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158756
PNG
(2-Hydroxy-4-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O
Show InChI InChI=1S/C19H16N2O5S3/c22-14-9-11(5-6-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10-
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158739
PNG
(CHEMBL175960 | N-{5-[1-(4-Bromo-phenyl)-meth-(Z)-y...)
Show SMILES Oc1ccccc1C(=O)NN1C(=S)SC(=Cc2ccc(Br)cc2)C1=O |w:15.16|
Show InChI InChI=1S/C17H11BrN2O3S2/c18-11-7-5-10(6-8-11)9-14-16(23)20(17(24)25-14)19-15(22)12-3-1-2-4-13(12)21/h1-9,21H,(H,19,22)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158756
PNG
(2-Hydroxy-4-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O
Show InChI InChI=1S/C19H16N2O5S3/c22-14-9-11(5-6-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10-
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158707
PNG
(CHEMBL175758 | N-(5-Chloro-2-hydroxy-phenyl)-2-{4-...)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C21H19ClN2O6S2/c1-28-15-6-11(7-16(29-2)19(15)30-3)8-17-20(27)24(21(31)32-17)10-18(26)23-13-9-12(22)4-5-14(13)25/h4-9,25H,10H2,1-3H3,(H,23,26)/b17-8-
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158746
PNG
(2-Hydroxy-5-(3-phenylethynyl-benzylamino)-benzoic ...)
Show SMILES OC(=O)c1cc(NCc2cccc(c2)C#Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H17NO3/c24-21-12-11-19(14-20(21)22(25)26)23-15-18-8-4-7-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,11-14,23-24H,15H2,(H,25,26)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158711
PNG
(4-(3-{5-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
Show InChI InChI=1S/C21H16N2O7S2/c24-14-9-12(2-3-13(14)20(27)28)22-18(25)5-6-23-19(26)17(32-21(23)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,22,25)(H,27,28)/b17-8-
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158705
PNG
(2-Hydroxy-5-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1cc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)ccc1O
Show InChI InChI=1S/C19H16N2O5S3/c22-14-6-5-11(9-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10+
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158715
PNG
(2-Hydroxy-5-(3-{5-[(E)-2-methyl-3-phenyl-prop-2-en...)
Show SMILES C\C(\C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C23H20N2O5S2/c1-14(11-15-5-3-2-4-6-15)12-19-21(28)25(23(31)32-19)10-9-20(27)24-16-7-8-18(26)17(13-16)22(29)30/h2-8,11-13,26H,9-10H2,1H3,(H,24,27)(H,29,30)/b14-11+,19-12-
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158740
PNG
(CHEMBL424771 | N-{5-[1-(3-Ethoxy-4-hydroxy-phenyl)...)
Show SMILES CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)ccc1O |w:6.5|
Show InChI InChI=1S/C19H16N2O5S2/c1-2-26-15-9-11(7-8-14(15)23)10-16-18(25)21(19(27)28-16)20-17(24)12-5-3-4-6-13(12)22/h3-10,22-23H,2H2,1H3,(H,20,24)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158747
PNG
(2-Hydroxy-5-(3-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)ccc1O
Show InChI InChI=1S/C18H14N2O5S3/c21-13-4-3-10(8-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)26)9-11-2-1-7-27-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9-
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158747
PNG
(2-Hydroxy-5-(3-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1cc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)ccc1O
Show InChI InChI=1S/C18H14N2O5S3/c21-13-4-3-10(8-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)26)9-11-2-1-7-27-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9-
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM15188
PNG
(5-{5-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)me...)
Show SMILES [#8]-[#6](=O)-c1cc(ccc1-[#8])-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
Show InChI InChI=1S/C21H12O6/c22-17-7-5-11(9-15(17)21(25)26)18-8-6-12(27-18)10-16-19(23)13-3-1-2-4-14(13)20(16)24/h1-10,22H,(H,25,26)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM15188
PNG
(5-{5-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)me...)
Show SMILES [#8]-[#6](=O)-c1cc(ccc1-[#8])-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
Show InChI InChI=1S/C21H12O6/c22-17-7-5-11(9-15(17)21(25)26)18-8-6-12(27-18)10-16-19(23)13-3-1-2-4-14(13)20(16)24/h1-10,22H,(H,25,26)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158714
PNG
(5-[5-(4-Carboxy-benzenesulfonyl)-1,3-dioxo-1,3-dih...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H13NO9S/c24-18-8-3-12(9-17(18)22(29)30)23-19(25)15-7-6-14(10-16(15)20(23)26)33(31,32)13-4-1-11(2-5-13)21(27)28/h1-10,24H,(H,27,28)(H,29,30)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158705
PNG
(2-Hydroxy-5-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...)
Show SMILES OC(=O)c1cc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)ccc1O
Show InChI InChI=1S/C19H16N2O5S3/c22-14-6-5-11(9-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10+
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158712
PNG
(3-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene]-t...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
Show InChI InChI=1S/C23H20N4O4S4/c1-15-2-4-16(5-3-15)14-19-21(29)27(23(32)34-19)12-10-20(28)25-17-6-8-18(9-7-17)35(30,31)26-22-24-11-13-33-22/h2-9,11,13-14H,10,12H2,1H3,(H,24,26)(H,25,28)/b19-14-
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158739
PNG
(CHEMBL175960 | N-{5-[1-(4-Bromo-phenyl)-meth-(Z)-y...)
Show SMILES Oc1ccccc1C(=O)NN1C(=S)SC(=Cc2ccc(Br)cc2)C1=O |w:15.16|
Show InChI InChI=1S/C17H11BrN2O3S2/c18-11-7-5-10(6-8-11)9-14-16(23)20(17(24)25-14)19-15(22)12-3-1-2-4-13(12)21/h1-9,21H,(H,19,22)
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158721
PNG
(4-{5-[3-(4-carboxyphenylcarbamoylmethyl)-4-oxo-2-t...)
Show SMILES OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H16N4O8S4/c29-15(25-13-5-1-11(2-6-13)21(33)34)9-27-19(31)17(39-23(27)37)18-20(32)28(24(38)40-18)10-16(30)26-14-7-3-12(4-8-14)22(35)36/h1-8H,9-10H2,(H,25,29)(H,26,30)(H,33,34)(H,35,36)/b18-17+
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158750
PNG
(CHEMBL368526 | N-(4-Hydroxy-phenyl)-2-{(E)-3''-[(4...)
Show SMILES Oc1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C22H16N4O6S4/c27-13-5-1-11(2-6-13)23-15(29)9-25-19(31)17(35-21(25)33)18-20(32)26(22(34)36-18)10-16(30)24-12-3-7-14(28)8-4-12/h1-8,27-28H,9-10H2,(H,23,29)(H,24,30)/b18-17+
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158741
PNG
(4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O7S2/c1-30-16-6-3-12(9-17(16)31-2)10-18-20(27)24(22(32)33-18)8-7-19(26)23-13-4-5-14(21(28)29)15(25)11-13/h3-6,9-11,25H,7-8H2,1-2H3,(H,23,26)(H,28,29)/b18-10+
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158746
PNG
(2-Hydroxy-5-(3-phenylethynyl-benzylamino)-benzoic ...)
Show SMILES OC(=O)c1cc(NCc2cccc(c2)C#Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H17NO3/c24-21-12-11-19(14-20(21)22(25)26)23-15-18-8-4-7-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,11-14,23-24H,15H2,(H,25,26)
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158714
PNG
(5-[5-(4-Carboxy-benzenesulfonyl)-1,3-dioxo-1,3-dih...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H13NO9S/c24-18-8-3-12(9-17(18)22(29)30)23-19(25)15-7-6-14(10-16(15)20(23)26)33(31,32)13-4-1-11(2-5-13)21(27)28/h1-10,24H,(H,27,28)(H,29,30)
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158750
PNG
(CHEMBL368526 | N-(4-Hydroxy-phenyl)-2-{(E)-3''-[(4...)
Show SMILES Oc1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C22H16N4O6S4/c27-13-5-1-11(2-6-13)23-15(29)9-25-19(31)17(35-21(25)33)18-20(32)26(22(34)36-18)10-16(30)24-12-3-7-14(28)8-4-12/h1-8,27-28H,9-10H2,(H,23,29)(H,24,30)/b18-17+
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158740
PNG
(CHEMBL424771 | N-{5-[1-(3-Ethoxy-4-hydroxy-phenyl)...)
Show SMILES CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)ccc1O |w:6.5|
Show InChI InChI=1S/C19H16N2O5S2/c1-2-26-15-9-11(7-8-14(15)23)10-16-18(25)21(19(27)28-16)20-17(24)12-5-3-4-6-13(12)22/h3-10,22-23H,2H2,1H3,(H,20,24)
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158753
PNG
(5-(2,6-Dimethyl-4-oxo-5-phenyl-4H-pyrimidin-1-yl)-...)
Show SMILES Cc1nc(=O)c(c(C)n1-c1ccc(O)c(c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-11-17(13-6-4-3-5-7-13)18(23)20-12(2)21(11)14-8-9-16(22)15(10-14)19(24)25/h3-10,22H,1-2H3,(H,24,25)
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n/an/a 7.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158754
PNG
(4-[3-(2-Carboxy-vinyl)-4,5-dimethoxy-benzenesulfon...)
Show SMILES COc1cc(cc(\C=C\C(O)=O)c1OC)S(=O)(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C18H17NO9S/c1-27-15-9-12(7-10(17(15)28-2)3-6-16(21)22)29(25,26)19-11-4-5-13(18(23)24)14(20)8-11/h3-9,19-20H,1-2H3,(H,21,22)(H,23,24)/b6-3+
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158721
PNG
(4-{5-[3-(4-carboxyphenylcarbamoylmethyl)-4-oxo-2-t...)
Show SMILES OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(C2=O)=C2\SC(=S)N(CC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H16N4O8S4/c29-15(25-13-5-1-11(2-6-13)21(33)34)9-27-19(31)17(39-23(27)37)18-20(32)28(24(38)40-18)10-16(30)26-14-7-3-12(4-8-14)22(35)36/h1-8H,9-10H2,(H,25,29)(H,26,30)(H,33,34)(H,35,36)/b18-17+
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158754
PNG
(4-[3-(2-Carboxy-vinyl)-4,5-dimethoxy-benzenesulfon...)
Show SMILES COc1cc(cc(\C=C\C(O)=O)c1OC)S(=O)(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C18H17NO9S/c1-27-15-9-12(7-10(17(15)28-2)3-6-16(21)22)29(25,26)19-11-4-5-13(18(23)24)14(20)8-11/h3-9,19-20H,1-2H3,(H,21,22)(H,23,24)/b6-3+
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158749
PNG
(CHEMBL367493 | N-(2-Hydroxy-5-nitro-phenyl)-2-{4-o...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3cc(ccc3O)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H15N3O5S2/c1-11-2-4-12(5-3-11)8-16-18(25)21(19(28)29-16)10-17(24)20-14-9-13(22(26)27)6-7-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158712
PNG
(3-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene]-t...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
Show InChI InChI=1S/C23H20N4O4S4/c1-15-2-4-16(5-3-15)14-19-21(29)27(23(32)34-19)12-10-20(28)25-17-6-8-18(9-7-17)35(30,31)26-22-24-11-13-33-22/h2-9,11,13-14H,10,12H2,1H3,(H,24,26)(H,25,28)/b19-14-
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158749
PNG
(CHEMBL367493 | N-(2-Hydroxy-5-nitro-phenyl)-2-{4-o...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3cc(ccc3O)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H15N3O5S2/c1-11-2-4-12(5-3-11)8-16-18(25)21(19(28)29-16)10-17(24)20-14-9-13(22(26)27)6-7-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
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n/an/a 8.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158738
PNG
(3-{5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H16FN3O4S3/c20-13-3-1-12(2-4-13)11-16-18(25)23(19(28)29-16)10-9-17(24)22-14-5-7-15(8-6-14)30(21,26)27/h1-8,11H,9-10H2,(H,22,24)(H2,21,26,27)/b16-11-
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n/an/a 8.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158723
PNG
(4-(3-{4-Oxo-2-thioxo-5-[1-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O7S2/c1-30-16-10-13(11-17(31-2)20(16)32-3)12-18-21(27)25(23(33)34-18)9-8-19(26)24-15-6-4-14(5-7-15)22(28)29/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,28,29)/b18-12+
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158736
PNG
(4-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-5-3-11(4-6-12)17(23)24)7-8-20-16(22)14(27-18(20)25)10-13-2-1-9-26-13/h1-6,9-10H,7-8H2,(H,19,21)(H,23,24)/b14-10+
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158736
PNG
(4-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-5-3-11(4-6-12)17(23)24)7-8-20-16(22)14(27-18(20)25)10-13-2-1-9-26-13/h1-6,9-10H,7-8H2,(H,19,21)(H,23,24)/b14-10+
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158738
PNG
(3-{5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C19H16FN3O4S3/c20-13-3-1-12(2-4-13)11-16-18(25)23(19(28)29-16)10-9-17(24)22-14-5-7-15(8-6-14)30(21,26)27/h1-8,11H,9-10H2,(H,22,24)(H2,21,26,27)/b16-11-
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158742
PNG
(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-4...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-7-6-13(10-17(16)28-2)11-18-20(26)23(21(29)30-18)9-8-19(25)22-14-4-3-5-15(24)12-14/h3-7,10-12,24H,8-9H2,1-2H3,(H,22,25)/b18-11-
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158726
PNG
(CHEMBL175563 | N-Benzo[1,3]dioxol-5-yl-3-{5-[1-ben...)
Show SMILES O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C21H16N2O6S2/c24-19(22-13-2-4-15-17(9-13)29-11-27-15)5-6-23-20(25)18(31-21(23)30)8-12-1-3-14-16(7-12)28-10-26-14/h1-4,7-9H,5-6,10-11H2,(H,22,24)/b18-8-
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n/an/a 9.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158735
PNG
(3-(3-{5-[1-(4-Ethoxy-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O5S2/c1-2-29-17-8-6-14(7-9-17)12-18-20(26)24(22(30)31-18)11-10-19(25)23-16-5-3-4-15(13-16)21(27)28/h3-9,12-13H,2,10-11H2,1H3,(H,23,25)(H,27,28)/b18-12-
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n/an/a 9.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158753
PNG
(5-(2,6-Dimethyl-4-oxo-5-phenyl-4H-pyrimidin-1-yl)-...)
Show SMILES Cc1nc(=O)c(c(C)n1-c1ccc(O)c(c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-11-17(13-6-4-3-5-7-13)18(23)20-12(2)21(11)14-8-9-16(22)15(10-14)19(24)25/h3-10,22H,1-2H3,(H,24,25)
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158723
PNG
(4-(3-{4-Oxo-2-thioxo-5-[1-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O7S2/c1-30-16-10-13(11-17(31-2)20(16)32-3)12-18-21(27)25(23(33)34-18)9-8-19(26)24-15-6-4-14(5-7-15)22(28)29/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,28,29)/b18-12+
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n/an/a 9.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158726
PNG
(CHEMBL175563 | N-Benzo[1,3]dioxol-5-yl-3-{5-[1-ben...)
Show SMILES O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C21H16N2O6S2/c24-19(22-13-2-4-15-17(9-13)29-11-27-15)5-6-23-20(25)18(31-21(23)30)8-12-1-3-14-16(7-12)28-10-26-14/h1-4,7-9H,5-6,10-11H2,(H,22,24)/b18-8-
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n/an/a 9.70E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158734
PNG
(3-(2-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene...)
Show SMILES Cc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H16N2O4S2/c1-12-5-7-13(8-6-12)9-16-18(24)22(20(27)28-16)11-17(23)21-15-4-2-3-14(10-15)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)/b16-9+
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n/an/a 9.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158713
PNG
(CHEMBL179817 | N-Benzothiazol-2-yl-4-{4-oxo-5-[1-t...)
Show SMILES O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1 |w:10.10|
Show InChI InChI=1S/C20H16N2O2S4/c23-17(22-20-21-14-7-1-2-8-15(14)28-20)9-3-6-13-18(24)16(27-19(13)25)11-12-5-4-10-26-12/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,21,22,23)
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n/an/a 9.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158748
PNG
(CHEMBL368194 | N-(4-Hydroxy-phenyl)-3-{5-[1-(2-met...)
Show SMILES COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-5-3-2-4-13(16)12-17-19(25)22(20(27)28-17)11-10-18(24)21-14-6-8-15(23)9-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,24)/b17-12+
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158727
PNG
(3-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1
Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-4-1-3-11(9-12)17(23)24)6-7-20-16(22)14(27-18(20)25)10-13-5-2-8-26-13/h1-5,8-10H,6-7H2,(H,19,21)(H,23,24)/b14-10-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158729
PNG
(CHEMBL179221 | N-(2-Hydroxy-4-nitro-phenyl)-2-{5-[...)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)c1
Show InChI InChI=1S/C19H15N3O6S2/c1-28-13-4-2-3-11(7-13)8-16-18(25)21(19(29)30-16)10-17(24)20-14-6-5-12(22(26)27)9-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158751
PNG
(5-[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbon...)
Show SMILES Cc1onc(c1C(=O)c1ccc(O)c(c1)C(O)=O)-c1ccccc1Cl
Show InChI InChI=1S/C18H12ClNO5/c1-9-15(16(20-25-9)11-4-2-3-5-13(11)19)17(22)10-6-7-14(21)12(8-10)18(23)24/h2-8,21H,1H3,(H,23,24)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158709
PNG
(2-Hydroxy-5-(3,4,5-trimethoxy-benzoylamino)-benzoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C17H17NO7/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(20)18-10-4-5-12(19)11(8-10)17(21)22/h4-8,19H,1-3H3,(H,18,20)(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158734
PNG
(3-(2-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene...)
Show SMILES Cc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H16N2O4S2/c1-12-5-7-13(8-6-12)9-16-18(24)22(20(27)28-16)11-17(23)21-15-4-2-3-14(10-15)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)/b16-9+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158742
PNG
(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-4...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-7-6-13(10-17(16)28-2)11-18-20(26)23(21(29)30-18)9-8-19(25)22-14-4-3-5-15(24)12-14/h3-7,10-12,24H,8-9H2,1-2H3,(H,22,25)/b18-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158727
PNG
(3-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...)
Show SMILES OC(=O)c1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1
Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-4-1-3-11(9-12)17(23)24)6-7-20-16(22)14(27-18(20)25)10-13-5-2-8-26-13/h1-5,8-10H,6-7H2,(H,19,21)(H,23,24)/b14-10-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158722
PNG
(3-(2-{5-[1-(3-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H16N2O5S2/c1-27-15-7-2-4-12(8-15)9-16-18(24)22(20(28)29-16)11-17(23)21-14-6-3-5-13(10-14)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)/b16-9+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158731
PNG
(5-(3-Benzoyl-thioureido)-2-hydroxy-benzoic acid | ...)
Show SMILES OC(=O)c1cc(NC(=S)NC(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C15H12N2O4S/c18-12-7-6-10(8-11(12)14(20)21)16-15(22)17-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,20,21)(H2,16,17,19,22)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158733
PNG
(3-[3-Furan-2-ylmethyl-4-oxo-2-thioxo-thiazolidin-(...)
Show SMILES OCCNc1nc2ccccn2c(=O)c1\C=C1/SC(=S)N(Cc2ccco2)C1=O
Show InChI InChI=1S/C19H16N4O4S2/c24-8-6-20-16-13(17(25)22-7-2-1-5-15(22)21-16)10-14-18(26)23(19(28)29-14)11-12-4-3-9-27-12/h1-5,7,9-10,20,24H,6,8,11H2/b14-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158720
PNG
(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES Oc1cc(ccc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-6-5-11(22(26)27)8-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158728
PNG
(3-(2-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...)
Show SMILES CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c1-2-13-6-8-14(9-7-13)10-17-19(25)23(21(28)29-17)12-18(24)22-16-5-3-4-15(11-16)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)/b17-10+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158725
PNG
(3-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)cc1
Show InChI InChI=1S/C19H14ClN3O4S2/c20-15-4-2-1-3-12(15)11-16-18(25)22(19(28)29-16)10-9-17(24)21-13-5-7-14(8-6-13)23(26)27/h1-8,11H,9-10H2,(H,21,24)/b16-11-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158724
PNG
(5-[1-(2,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-3-ph...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)c(O)c1
Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(13(19)9-12)8-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158717
PNG
(CHEMBL367031 | N-(2-Hydroxy-4-nitro-phenyl)-2-{4-o...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H15N3O5S2/c1-11-2-4-12(5-3-11)8-16-18(25)21(19(28)29-16)10-17(24)20-14-7-6-13(22(26)27)9-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158743
PNG
(2-Hydroxy-5-[(5-methyl-furan-2-carbonyl)-amino]-be...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-7-2-5-11(19-7)12(16)14-8-3-4-10(15)9(6-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158720
PNG
(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES Oc1cc(ccc1NC(=O)CN1C(=S)S\C(=C/c2ccccc2Cl)C1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-6-5-11(22(26)27)8-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158728
PNG
(3-(2-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...)
Show SMILES CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c1-2-13-6-8-14(9-7-13)10-17-19(25)23(21(28)29-17)12-18(24)22-16-5-3-4-15(11-16)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)/b17-10+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158748
PNG
(CHEMBL368194 | N-(4-Hydroxy-phenyl)-3-{5-[1-(2-met...)
Show SMILES COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C20H18N2O4S2/c1-26-16-5-3-2-4-13(16)12-17-19(25)22(20(27)28-17)11-10-18(24)21-14-6-8-15(23)9-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,24)/b17-12+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158737
PNG
(3-(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES OC(=O)c1cccc(NC(=O)CN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)c1
Show InChI InChI=1S/C19H13ClN2O4S2/c20-14-7-2-1-4-11(14)9-15-17(24)22(19(27)28-15)10-16(23)21-13-6-3-5-12(8-13)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158708
PNG
(CHEMBL179161 | N-(3-Hydroxy-phenyl)-3-{4-oxo-5-[1-...)
Show SMILES Oc1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1
Show InChI InChI=1S/C17H14N2O3S3/c20-12-4-1-3-11(9-12)18-15(21)6-7-19-16(22)14(25-17(19)23)10-13-5-2-8-24-13/h1-5,8-10,20H,6-7H2,(H,18,21)/b14-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158737
PNG
(3-(2-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES OC(=O)c1cccc(NC(=O)CN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)c1
Show InChI InChI=1S/C19H13ClN2O4S2/c20-14-7-2-1-4-11(14)9-15-17(24)22(19(27)28-15)10-16(23)21-13-6-3-5-12(8-13)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158744
PNG
(CHEMBL435309 | N-Naphthalen-2-yl-3-{4-oxo-5-[1-thi...)
Show SMILES O=C(CCN1C(=S)S\C(=C/c2cccs2)C1=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O2S3/c24-19(22-16-8-7-14-4-1-2-5-15(14)12-16)9-10-23-20(25)18(28-21(23)26)13-17-6-3-11-27-17/h1-8,11-13H,9-10H2,(H,22,24)/b18-13-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158716
PNG
(4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C22H27N3O6S2/c1-4-31-21(28)24-11-9-23(10-12-24)19(26)7-8-25-20(27)18(33-22(25)32)14-15-5-6-16(29-2)17(13-15)30-3/h5-6,13-14H,4,7-12H2,1-3H3/b18-14-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158751
PNG
(5-[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbon...)
Show SMILES Cc1onc(c1C(=O)c1ccc(O)c(c1)C(O)=O)-c1ccccc1Cl
Show InChI InChI=1S/C18H12ClNO5/c1-9-15(16(20-25-9)11-4-2-3-5-13(11)19)17(22)10-6-7-14(21)12(8-10)18(23)24/h2-8,21H,1H3,(H,23,24)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158743
PNG
(2-Hydroxy-5-[(5-methyl-furan-2-carbonyl)-amino]-be...)
Show SMILES Cc1ccc(o1)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-7-2-5-11(19-7)12(16)14-8-3-4-10(15)9(6-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158713
PNG
(CHEMBL179817 | N-Benzothiazol-2-yl-4-{4-oxo-5-[1-t...)
Show SMILES O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1 |w:10.10|
Show InChI InChI=1S/C20H16N2O2S4/c23-17(22-20-21-14-7-1-2-8-15(14)28-20)9-3-6-13-18(24)16(27-19(13)25)11-12-5-4-10-26-12/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,21,22,23)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158708
PNG
(CHEMBL179161 | N-(3-Hydroxy-phenyl)-3-{4-oxo-5-[1-...)
Show SMILES Oc1cccc(NC(=O)CCN2C(=S)S\C(=C/c3cccs3)C2=O)c1
Show InChI InChI=1S/C17H14N2O3S3/c20-12-4-1-3-11(9-12)18-15(21)6-7-19-16(22)14(25-17(19)23)10-13-5-2-8-24-13/h1-5,8-10,20H,6-7H2,(H,18,21)/b14-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158718
PNG
(3-(3-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c1-13-5-7-14(8-6-13)11-17-19(25)23(21(28)29-17)10-9-18(24)22-16-4-2-3-15(12-16)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158722
PNG
(3-(2-{5-[1-(3-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C20H16N2O5S2/c1-27-15-7-2-4-12(8-15)9-16-18(24)22(20(28)29-16)11-17(23)21-14-6-3-5-13(10-14)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)/b16-9+
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158709
PNG
(2-Hydroxy-5-(3,4,5-trimethoxy-benzoylamino)-benzoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C17H17NO7/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(20)18-10-4-5-12(19)11(8-10)17(21)22/h4-8,19H,1-3H3,(H,18,20)(H,21,22)
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158719
PNG
(3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158717
PNG
(CHEMBL367031 | N-(2-Hydroxy-4-nitro-phenyl)-2-{4-o...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H15N3O5S2/c1-11-2-4-12(5-3-11)8-16-18(25)21(19(28)29-16)10-17(24)20-14-7-6-13(22(26)27)9-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158733
PNG
(3-[3-Furan-2-ylmethyl-4-oxo-2-thioxo-thiazolidin-(...)
Show SMILES OCCNc1nc2ccccn2c(=O)c1\C=C1/SC(=S)N(Cc2ccco2)C1=O
Show InChI InChI=1S/C19H16N4O4S2/c24-8-6-20-16-13(17(25)22-7-2-1-5-15(22)21-16)10-14-18(26)23(19(28)29-14)11-12-4-3-9-27-12/h1-5,7,9-10,20,24H,6,8,11H2/b14-10-
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University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158724
PNG
(5-[1-(2,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-3-ph...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)c(O)c1
Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(13(19)9-12)8-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158716
PNG
(4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C22H27N3O6S2/c1-4-31-21(28)24-11-9-23(10-12-24)19(26)7-8-25-20(27)18(33-22(25)32)14-15-5-6-16(29-2)17(13-15)30-3/h5-6,13-14H,4,7-12H2,1-3H3/b18-14-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158718
PNG
(3-(3-{4-Oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O4S2/c1-13-5-7-14(8-6-13)11-17-19(25)23(21(28)29-17)10-9-18(24)22-16-4-2-3-15(12-16)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158719
PNG
(3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158731
PNG
(5-(3-Benzoyl-thioureido)-2-hydroxy-benzoic acid | ...)
Show SMILES OC(=O)c1cc(NC(=S)NC(=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C15H12N2O4S/c18-12-7-6-10(8-11(12)14(20)21)16-15(22)17-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,20,21)(H2,16,17,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158744
PNG
(CHEMBL435309 | N-Naphthalen-2-yl-3-{4-oxo-5-[1-thi...)
Show SMILES O=C(CCN1C(=S)S\C(=C/c2cccs2)C1=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O2S3/c24-19(22-16-8-7-14-4-1-2-5-15(14)12-16)9-10-23-20(25)18(28-21(23)26)13-17-6-3-11-27-17/h1-8,11-13H,9-10H2,(H,22,24)/b18-13-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158725
PNG
(3-{5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3Cl)C2=O)cc1
Show InChI InChI=1S/C19H14ClN3O4S2/c20-15-4-2-1-3-12(15)11-16-18(25)22(19(28)29-16)10-9-17(24)21-13-5-7-14(8-6-13)23(26)27/h1-8,11H,9-10H2,(H,21,24)/b16-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158729
PNG
(CHEMBL179221 | N-(2-Hydroxy-4-nitro-phenyl)-2-{5-[...)
Show SMILES COc1cccc(\C=C2\SC(=S)N(CC(=O)Nc3ccc(cc3O)[N+]([O-])=O)C2=O)c1
Show InChI InChI=1S/C19H15N3O6S2/c1-28-13-4-2-3-11(7-13)8-16-18(25)21(19(29)30-16)10-17(24)20-14-6-5-12(22(26)27)9-15(14)23/h2-9,23H,10H2,1H3,(H,20,24)/b16-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50158735
PNG
(3-(3-{5-[1-(4-Ethoxy-phenyl)-meth-(Z)-ylidene]-4-o...)
Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O5S2/c1-2-29-17-8-6-14(7-9-17)12-18-20(26)24(22(30)31-18)11-10-19(25)23-16-5-3-4-15(13-16)21(27)28/h3-9,12-13H,2,10-11H2,1H3,(H,23,25)(H,27,28)/b18-12-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%