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PubMed code 8691444

Compile data set for download or QSAR
Found 105 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 protease


(Human immunodeficiency virus type 1)
BDBM499
PNG
(6-hexyl-3-[(6-hexyl-4,7-dihydroxy-2-oxo-3,4-dihydr...)
Show SMILES CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
Show InChI InChI=1S/C37H42O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31-32,34,38-41H,3-8,10-11,16-17H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
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n/an/a 750n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease.


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 integrase


(Human immunodeficiency virus 2)
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 Integrase was measured using 3'-processing (3'-proc) assay.


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease.


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
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n/an/a 2.70E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051629
PNG
(2-(4-Chloro-benzyl)-3-hydroxy-[1,4]naphthoquinone ...)
Show SMILES Clc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
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n/an/a 7.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051633
PNG
(2-[3-(Decahydro-naphthalen-2-yl)-propyl]-3-hydroxy...)
Show SMILES O=C1C(CCCC2CCC3CCCCC3C2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H28O3/c24-21-18-9-3-4-10-19(18)22(25)23(26)20(21)11-5-6-15-12-13-16-7-1-2-8-17(16)14-15/h3-4,9-10,15-17,20H,1-2,5-8,11-14H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase I.


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM499
PNG
(6-hexyl-3-[(6-hexyl-4,7-dihydroxy-2-oxo-3,4-dihydr...)
Show SMILES CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
Show InChI InChI=1S/C37H42O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31-32,34,38-41H,3-8,10-11,16-17H2,1-2H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM499
PNG
(6-hexyl-3-[(6-hexyl-4,7-dihydroxy-2-oxo-3,4-dihydr...)
Show SMILES CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
Show InChI InChI=1S/C37H42O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31-32,34,38-41H,3-8,10-11,16-17H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM514
PNG
(4-hydroxy-3,8-diphenyl-2H-chromen-2-one | Cancer C...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C21H14O3/c22-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)24-21(23)18(19)15-10-5-2-6-11-15/h1-13,22H
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n/an/a 1.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM505
PNG
(3-[2H-1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chro...)
Show SMILES Oc1c(C(c2ccc3OCOc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051645
PNG
(2-[3-bromo-4-hydroxy-5-methoxyphenyl(3-hydroxy-1,4...)
Show SMILES COc1cc(cc(Br)c1O)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C28H17BrO8/c1-37-18-11-12(10-17(29)26(18)34)19(20-22(30)13-6-2-4-8-15(13)24(32)27(20)35)21-23(31)14-7-3-5-9-16(14)25(33)28(21)36/h2-11,30,32,34-35H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM500
PNG
(4-hydroxy-3-[(4-hydroxy-2-oxo-3,4-dihydro-2H-1-ben...)
Show SMILES OC1C(Sc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C18H12O6S/c19-13-9-5-1-3-7-11(9)23-17(21)15(13)25-16-14(20)10-6-2-4-8-12(10)24-18(16)22/h1-8,13,15,19-20H
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n/an/a 2.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM508
PNG
(2-[(2,4-dichlorophenyl)(3-hydroxy-1,4-dioxo-1,4-di...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H14Cl2O6/c28-12-9-10-17(18(29)11-12)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
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n/an/a 2.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM505
PNG
(3-[2H-1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chro...)
Show SMILES Oc1c(C(c2ccc3OCOc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM516
PNG
(CHEMBL62658 | N-[2,6-bis(propan-2-yl)phenyl]-6-(4-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H33NO6/c1-19(2)23-14-10-15-24(20(3)4)30(23)34-32(38)27(36)18-22(35)17-26(21-11-6-5-7-12-21)29-31(37)25-13-8-9-16-28(25)40-33(29)39/h5-16,19-20,26,37H,17-18H2,1-4H3,(H,34,38)
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n/an/a 3.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051645
PNG
(2-[3-bromo-4-hydroxy-5-methoxyphenyl(3-hydroxy-1,4...)
Show SMILES COc1cc(cc(Br)c1O)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C28H17BrO8/c1-37-18-11-12(10-17(29)26(18)34)19(20-22(30)13-6-2-4-8-15(13)24(32)27(20)35)21-23(31)14-7-3-5-9-16(14)25(33)28(21)36/h2-11,30,32,34-35H,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM515
PNG
(4-hydroxy-3-phenyl-2H-chromen-2-one | Cancer Chemo...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
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n/an/a 3.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051634
PNG
(2-Heptylamino-3-hydroxy-[1,4]naphthoquinone | CHEM...)
Show SMILES CCCCCCC=Nc1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C17H21NO3/c1-2-3-4-5-8-11-18-14-15(19)12-9-6-7-10-13(12)16(20)17(14)21/h6-7,9-11,19-21H,2-5,8H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM508
PNG
(2-[(2,4-dichlorophenyl)(3-hydroxy-1,4-dioxo-1,4-di...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H14Cl2O6/c28-12-9-10-17(18(29)11-12)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
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n/an/a 3.70E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM508
PNG
(2-[(2,4-dichlorophenyl)(3-hydroxy-1,4-dioxo-1,4-di...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H14Cl2O6/c28-12-9-10-17(18(29)11-12)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM505
PNG
(3-[2H-1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chro...)
Show SMILES Oc1c(C(c2ccc3OCOc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
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n/an/a 4.70E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051619
PNG
(2-hydroxy-3-[3-hydroxy-1,4-dioxo-1,4-dihydro-2-nap...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C27H16O6/c28-22-15-10-4-6-12-17(15)24(30)26(32)20(22)19(14-8-2-1-3-9-14)21-23(29)16-11-5-7-13-18(16)25(31)27(21)33/h1-13,28,30,32H
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n/an/a 4.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051630
PNG
(2-(4-Chloro-phenylsulfanylmethyl)-3-hydroxy-[1,4]n...)
Show SMILES Clc1ccc(SCC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3S/c18-10-5-7-11(8-6-10)22-9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051642
PNG
(2-[3,4-dichlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihy...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H14Cl2O6/c28-17-10-9-12(11-18(17)29)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
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n/an/a 5.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051629
PNG
(2-(4-Chloro-benzyl)-3-hydroxy-[1,4]naphthoquinone ...)
Show SMILES Clc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
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n/an/a 5.60E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051635
PNG
(Bis-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-...)
Show SMILES CCOC(=O)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C24H16O8/c1-2-32-24(31)15(16-18(25)11-7-3-5-9-13(11)20(27)22(16)29)17-19(26)12-8-4-6-10-14(12)21(28)23(17)30/h3-10,25,27,29H,2H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
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n/an/a 6.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase I.


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051619
PNG
(2-hydroxy-3-[3-hydroxy-1,4-dioxo-1,4-dihydro-2-nap...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C27H16O6/c28-22-15-10-4-6-12-17(15)24(30)26(32)20(22)19(14-8-2-1-3-9-14)21-23(29)16-11-5-7-13-18(16)25(31)27(21)33/h1-13,28,30,32H
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n/an/a 6.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051617
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(C#Cc1ccccc1)=C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H16O6/c30-24-17-10-4-6-12-19(17)26(32)28(34)22(24)21(15-14-16-8-2-1-3-9-16)23-25(31)18-11-5-7-13-20(18)27(33)29(23)35/h1-13,30,32,34H
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n/an/a 7.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051643
PNG
(CHEMBL309934 | N-{4-[Bis-(3-hydroxy-1,4-dioxo-1,4-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C29H19NO7/c1-14(31)30-16-12-10-15(11-13-16)21(22-24(32)17-6-2-4-8-19(17)26(34)28(22)36)23-25(33)18-7-3-5-9-20(18)27(35)29(23)37/h2-13,32,34,36H,1H3,(H,30,31)
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n/an/a 7.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM500
PNG
(4-hydroxy-3-[(4-hydroxy-2-oxo-3,4-dihydro-2H-1-ben...)
Show SMILES OC1C(Sc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C18H12O6S/c19-13-9-5-1-3-7-11(9)23-17(21)15(13)25-16-14(20)10-6-2-4-8-12(10)24-18(16)22/h1-8,13,15,19-20H
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n/an/a 8.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051641
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(CCc1ccccc1)=C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H20O6/c30-24-17-10-4-6-12-19(17)26(32)28(34)22(24)21(15-14-16-8-2-1-3-9-16)23-25(31)18-11-5-7-13-20(18)27(33)29(23)35/h1-13,30,32,34H,14-15H2
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n/an/a 8.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051643
PNG
(CHEMBL309934 | N-{4-[Bis-(3-hydroxy-1,4-dioxo-1,4-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C29H19NO7/c1-14(31)30-16-12-10-15(11-13-16)21(22-24(32)17-6-2-4-8-19(17)26(34)28(22)36)23-25(33)18-7-3-5-9-20(18)27(35)29(23)37/h2-13,32,34,36H,1H3,(H,30,31)
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n/an/a 8.60E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051641
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(CCc1ccccc1)=C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H20O6/c30-24-17-10-4-6-12-19(17)26(32)28(34)22(24)21(15-14-16-8-2-1-3-9-16)23-25(31)18-11-5-7-13-20(18)27(33)29(23)35/h1-13,30,32,34H,14-15H2
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n/an/a 9.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051642
PNG
(2-[3,4-dichlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihy...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H14Cl2O6/c28-17-10-9-12(11-18(17)29)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H
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n/an/a 9.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051629
PNG
(2-(4-Chloro-benzyl)-3-hydroxy-[1,4]naphthoquinone ...)
Show SMILES Clc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
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n/an/a 9.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051635
PNG
(Bis-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-...)
Show SMILES CCOC(=O)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C24H16O8/c1-2-32-24(31)15(16-18(25)11-7-3-5-9-13(11)20(27)22(16)29)17-19(26)12-8-4-6-10-14(12)21(28)23(17)30/h3-10,25,27,29H,2H2,1H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM35538
PNG
(CHEMBL81697 | symmetric dicoumarol analogue, 14)
Show SMILES CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051625
PNG
(3-(4-Chloro-benzenesulfonyl)-4-hydroxy-7-methoxy-c...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO6S/c1-22-10-4-7-12-13(8-10)23-16(19)15(14(12)18)24(20,21)11-5-2-9(17)3-6-11/h2-8,18H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051644
PNG
(2-[4-dimethylaminophenyl(3-hydroxy-1,4-dioxo-1,4-d...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C29H21NO6/c1-30(2)16-13-11-15(12-14-16)21(22-24(31)17-7-3-5-9-19(17)26(33)28(22)35)23-25(32)18-8-4-6-10-20(18)27(34)29(23)36/h3-14,31,33,35H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051621
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES CC(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C22H14O6/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28/h2-9,23,25,27H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM24779
PNG
(2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...)
Show SMILES O=C1CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051628
PNG
(CHEMBL79480 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-na...)
Show SMILES Oc1c(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C21H10ClNO7/c22-14-15(18(26)10-6-2-1-5-9(10)17(14)25)23-20(28)19(27)13-16(24)11-7-3-4-8-12(11)30-21(13)29/h1-8,24H,(H,23,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051618
PNG
(2-Hydroxy-3-phenylsulfanyl-[1,4]naphthoquinone | C...)
Show SMILES O=C1C(Sc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H10O3S/c17-13-11-8-4-5-9-12(11)14(18)16(15(13)19)20-10-6-2-1-3-7-10/h1-9,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM515
PNG
(4-hydroxy-3-phenyl-2H-chromen-2-one | Cancer Chemo...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051633
PNG
(2-[3-(Decahydro-naphthalen-2-yl)-propyl]-3-hydroxy...)
Show SMILES O=C1C(CCCC2CCC3CCCCC3C2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H28O3/c24-21-18-9-3-4-10-19(18)22(25)23(26)20(21)11-5-6-15-12-13-16-7-1-2-8-17(16)14-15/h3-4,9-10,15-17,20H,1-2,5-8,11-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051640
PNG
(4-Hydroxy-3-(4-hydroxy-2-oxo-chroman-3-ylmethyl)-c...)
Show SMILES OC1C(Cc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C19H14O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12,16,20-21H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM516
PNG
(CHEMBL62658 | N-[2,6-bis(propan-2-yl)phenyl]-6-(4-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H33NO6/c1-19(2)23-14-10-15-24(20(3)4)30(23)34-32(38)27(36)18-22(35)17-26(21-11-6-5-7-12-21)29-31(37)25-13-8-9-16-28(25)40-33(29)39/h5-16,19-20,26,37H,17-18H2,1-4H3,(H,34,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051623
PNG
(CHEMBL312699 | N-(3-Acetyl-phenyl)-2-(4-hydroxy-2-...)
Show SMILES CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H13NO6/c1-10(21)11-5-4-6-12(9-11)20-18(24)17(23)15-16(22)13-7-2-3-8-14(13)26-19(15)25/h2-9,22H,1H3,(H,20,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM503
PNG
(3-benzyl-4,5-dihydroxy-2H-chromen-2-one | CHEMBL64...)
Show SMILES Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
Show InChI InChI=1S/C16H12O4/c17-12-7-4-8-13-14(12)15(18)11(16(19)20-13)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50369149
PNG
(CHEMBL550020 | NSC-133800)
Show SMILES Oc1c(C(=O)c2cccc(c2)[N+]([O-])=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9NO6/c18-14(9-4-3-5-10(8-9)17(21)22)13-15(19)11-6-1-2-7-12(11)23-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051647
PNG
(2-[4-ethoxy-3-methoxyphenyl(3-hydroxy-1,4-dioxo-1,...)
Show SMILES CCOc1ccc(cc1OC)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C30H22O8/c1-3-38-20-13-12-15(14-21(20)37-2)22(23-25(31)16-8-4-6-10-18(16)27(33)29(23)35)24-26(32)17-9-5-7-11-19(17)28(34)30(24)36/h4-14,31,33,35H,3H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051628
PNG
(CHEMBL79480 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-na...)
Show SMILES Oc1c(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C21H10ClNO7/c22-14-15(18(26)10-6-2-1-5-9(10)17(14)25)23-20(28)19(27)13-16(24)11-7-3-4-8-12(11)30-21(13)29/h1-8,24H,(H,23,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051618
PNG
(2-Hydroxy-3-phenylsulfanyl-[1,4]naphthoquinone | C...)
Show SMILES O=C1C(Sc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H10O3S/c17-13-11-8-4-5-9-12(11)14(18)16(15(13)19)20-10-6-2-1-3-7-10/h1-9,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051615
PNG
(CHEMBL84281 | NSC-280795 | Thiobenzoic acid S-(4-h...)
Show SMILES Oc1c(CSC(=O)c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C17H12O4S/c18-15-12-8-4-5-9-14(12)21-16(19)13(15)10-22-17(20)11-6-2-1-3-7-11/h1-9,18H,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051615
PNG
(CHEMBL84281 | NSC-280795 | Thiobenzoic acid S-(4-h...)
Show SMILES Oc1c(CSC(=O)c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C17H12O4S/c18-15-12-8-4-5-9-14(12)21-16(19)13(15)10-22-17(20)11-6-2-1-3-7-11/h1-9,18H,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051617
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(C#Cc1ccccc1)=C1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H16O6/c30-24-17-10-4-6-12-19(17)26(32)28(34)22(24)21(15-14-16-8-2-1-3-9-16)23-25(31)18-11-5-7-13-20(18)27(33)29(23)35/h1-13,30,32,34H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM514
PNG
(4-hydroxy-3,8-diphenyl-2H-chromen-2-one | Cancer C...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C21H14O3/c22-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)24-21(23)18(19)15-10-5-2-6-11-15/h1-13,22H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM35538
PNG
(CHEMBL81697 | symmetric dicoumarol analogue, 14)
Show SMILES CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM24779
PNG
(2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...)
Show SMILES O=C1CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM35538
PNG
(CHEMBL81697 | symmetric dicoumarol analogue, 14)
Show SMILES CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051640
PNG
(4-Hydroxy-3-(4-hydroxy-2-oxo-chroman-3-ylmethyl)-c...)
Show SMILES OC1C(Cc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C19H14O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12,16,20-21H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051633
PNG
(2-[3-(Decahydro-naphthalen-2-yl)-propyl]-3-hydroxy...)
Show SMILES O=C1C(CCCC2CCC3CCCCC3C2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H28O3/c24-21-18-9-3-4-10-19(18)22(25)23(26)20(21)11-5-6-15-12-13-16-7-1-2-8-17(16)14-15/h3-4,9-10,15-17,20H,1-2,5-8,11-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM514
PNG
(4-hydroxy-3,8-diphenyl-2H-chromen-2-one | Cancer C...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C21H14O3/c22-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)24-21(23)18(19)15-10-5-2-6-11-15/h1-13,22H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051615
PNG
(CHEMBL84281 | NSC-280795 | Thiobenzoic acid S-(4-h...)
Show SMILES Oc1c(CSC(=O)c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C17H12O4S/c18-15-12-8-4-5-9-14(12)21-16(19)13(15)10-22-17(20)11-6-2-1-3-7-11/h1-9,18H,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051636
PNG
(CHEMBL431195 | NSC-647410)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C31H33N3O5S/c1-22-13-15-25(16-14-22)40(37,38)33-32-24(17-20-34-18-7-8-19-34)21-27(23-9-3-2-4-10-23)29-30(35)26-11-5-6-12-28(26)39-31(29)36/h2-6,9-16,27,33,35H,7-8,17-21H2,1H3
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051620
PNG
(3-(4-Chloro-benzoyl)-4-hydroxy-chromen-2-one | CHE...)
Show SMILES Oc1c(C(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9ClO4/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)21-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051620
PNG
(3-(4-Chloro-benzoyl)-4-hydroxy-chromen-2-one | CHE...)
Show SMILES Oc1c(C(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9ClO4/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)21-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051628
PNG
(CHEMBL79480 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-na...)
Show SMILES Oc1c(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C21H10ClNO7/c22-14-15(18(26)10-6-2-1-5-9(10)17(14)25)23-20(28)19(27)13-16(24)11-7-3-4-8-12(11)30-21(13)29/h1-8,24H,(H,23,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051634
PNG
(2-Heptylamino-3-hydroxy-[1,4]naphthoquinone | CHEM...)
Show SMILES CCCCCCC=Nc1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C17H21NO3/c1-2-3-4-5-8-11-18-14-15(19)12-9-6-7-10-13(12)16(20)17(14)21/h6-7,9-11,19-21H,2-5,8H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051625
PNG
(3-(4-Chloro-benzenesulfonyl)-4-hydroxy-7-methoxy-c...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO6S/c1-22-10-4-7-12-13(8-10)23-16(19)15(14(12)18)24(20,21)11-5-2-9(17)3-6-11/h2-8,18H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051626
PNG
(4-Hydroxy-7-methoxy-3-(toluene-4-sulfonyl)-chromen...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H14O6S/c1-10-3-6-12(7-4-10)24(20,21)16-15(18)13-8-5-11(22-2)9-14(13)23-17(16)19/h3-9,18H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM516
PNG
(CHEMBL62658 | N-[2,6-bis(propan-2-yl)phenyl]-6-(4-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H33NO6/c1-19(2)23-14-10-15-24(20(3)4)30(23)34-32(38)27(36)18-22(35)17-26(21-11-6-5-7-12-21)29-31(37)25-13-8-9-16-28(25)40-33(29)39/h5-16,19-20,26,37H,17-18H2,1-4H3,(H,34,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051621
PNG
(2-hydroxy-3-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-...)
Show SMILES CC(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C22H14O6/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28/h2-9,23,25,27H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM500
PNG
(4-hydroxy-3-[(4-hydroxy-2-oxo-3,4-dihydro-2H-1-ben...)
Show SMILES OC1C(Sc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C18H12O6S/c19-13-9-5-1-3-7-11(9)23-17(21)15(13)25-16-14(20)10-6-2-4-8-12(10)24-18(16)22/h1-8,13,15,19-20H
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051625
PNG
(3-(4-Chloro-benzenesulfonyl)-4-hydroxy-7-methoxy-c...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClO6S/c1-22-10-4-7-12-13(8-10)23-16(19)15(14(12)18)24(20,21)11-5-2-9(17)3-6-11/h2-8,18H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM515
PNG
(4-hydroxy-3-phenyl-2H-chromen-2-one | Cancer Chemo...)
Show SMILES Oc1c(-c2ccccc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051627
PNG
(2-hydroxy-3-[3-hydroxy-1,4-dioxo-1,4-dihydro-2-nap...)
Show SMILES COc1cc(cc(OC)c1OC)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C30H22O9/c1-37-19-12-14(13-20(38-2)30(19)39-3)21(22-24(31)15-8-4-6-10-17(15)26(33)28(22)35)23-25(32)16-9-5-7-11-18(16)27(34)29(23)36/h4-13,31,33,35H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051618
PNG
(2-Hydroxy-3-phenylsulfanyl-[1,4]naphthoquinone | C...)
Show SMILES O=C1C(Sc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H10O3S/c17-13-11-8-4-5-9-12(11)14(18)16(15(13)19)20-10-6-2-1-3-7-10/h1-9,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50369149
PNG
(CHEMBL550020 | NSC-133800)
Show SMILES Oc1c(C(=O)c2cccc(c2)[N+]([O-])=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9NO6/c18-14(9-4-3-5-10(8-9)17(21)22)13-15(19)11-6-1-2-7-12(11)23-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051623
PNG
(CHEMBL312699 | N-(3-Acetyl-phenyl)-2-(4-hydroxy-2-...)
Show SMILES CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H13NO6/c1-10(21)11-5-4-6-12(9-11)20-18(24)17(23)15-16(22)13-7-2-3-8-14(13)26-19(15)25/h2-9,22H,1H3,(H,20,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051644
PNG
(2-[4-dimethylaminophenyl(3-hydroxy-1,4-dioxo-1,4-d...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C29H21NO6/c1-30(2)16-13-11-15(12-14-16)21(22-24(31)17-7-3-5-9-19(17)26(33)28(22)35)23-25(32)18-8-4-6-10-20(18)27(34)29(23)36/h3-14,31,33,35H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051640
PNG
(4-Hydroxy-3-(4-hydroxy-2-oxo-chroman-3-ylmethyl)-c...)
Show SMILES OC1C(Cc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
Show InChI InChI=1S/C19H14O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12,16,20-21H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051646
PNG
(2-[4-chlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H15ClO6/c28-14-11-9-13(10-12-14)19(20-22(29)15-5-1-3-7-17(15)24(31)26(20)33)21-23(30)16-6-2-4-8-18(16)25(32)27(21)34/h1-12,29,31,33H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051627
PNG
(2-hydroxy-3-[3-hydroxy-1,4-dioxo-1,4-dihydro-2-nap...)
Show SMILES COc1cc(cc(OC)c1OC)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C30H22O9/c1-37-19-12-14(13-20(38-2)30(19)39-3)21(22-24(31)15-8-4-6-10-17(15)26(33)28(22)35)23-25(32)16-9-5-7-11-18(16)27(34)29(23)36/h4-13,31,33,35H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051623
PNG
(CHEMBL312699 | N-(3-Acetyl-phenyl)-2-(4-hydroxy-2-...)
Show SMILES CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1
Show InChI InChI=1S/C19H13NO6/c1-10(21)11-5-4-6-12(9-11)20-18(24)17(23)15-16(22)13-7-2-3-8-14(13)26-19(15)25/h2-9,22H,1H3,(H,20,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM24779
PNG
(2-Hydroxy-[1,4]naphthoquinone | 2-hydroxy-1,4-dihy...)
Show SMILES O=C1CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50369149
PNG
(CHEMBL550020 | NSC-133800)
Show SMILES Oc1c(C(=O)c2cccc(c2)[N+]([O-])=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9NO6/c18-14(9-4-3-5-10(8-9)17(21)22)13-15(19)11-6-1-2-7-12(11)23-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051636
PNG
(CHEMBL431195 | NSC-647410)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C31H33N3O5S/c1-22-13-15-25(16-14-22)40(37,38)33-32-24(17-20-34-18-7-8-19-34)21-27(23-9-3-2-4-10-23)29-30(35)26-11-5-6-12-28(26)39-31(29)36/h2-6,9-16,27,33,35H,7-8,17-21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM503
PNG
(3-benzyl-4,5-dihydroxy-2H-chromen-2-one | CHEMBL64...)
Show SMILES Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
Show InChI InChI=1S/C16H12O4/c17-12-7-4-8-13-14(12)15(18)11(16(19)20-13)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051620
PNG
(3-(4-Chloro-benzoyl)-4-hydroxy-chromen-2-one | CHE...)
Show SMILES Oc1c(C(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C16H9ClO4/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)21-16(13)20/h1-8,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051646
PNG
(2-[4-chlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H15ClO6/c28-14-11-9-13(10-12-14)19(20-22(29)15-5-1-3-7-17(15)24(31)26(20)33)21-23(30)16-6-2-4-8-18(16)25(32)27(21)34/h1-12,29,31,33H
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM503
PNG
(3-benzyl-4,5-dihydroxy-2H-chromen-2-one | CHEMBL64...)
Show SMILES Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
Show InChI InChI=1S/C16H12O4/c17-12-7-4-8-13-14(12)15(18)11(16(19)20-13)9-10-5-2-1-3-6-10/h1-8,17-18H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051634
PNG
(2-Heptylamino-3-hydroxy-[1,4]naphthoquinone | CHEM...)
Show SMILES CCCCCCC=Nc1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C17H21NO3/c1-2-3-4-5-8-11-18-14-15(19)12-9-6-7-10-13(12)16(20)17(14)21/h6-7,9-11,19-21H,2-5,8H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051647
PNG
(2-[4-ethoxy-3-methoxyphenyl(3-hydroxy-1,4-dioxo-1,...)
Show SMILES CCOc1ccc(cc1OC)C(=C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O
Show InChI InChI=1S/C30H22O8/c1-3-38-20-13-12-15(14-21(20)37-2)22(23-25(31)16-8-4-6-10-18(16)27(33)29(23)35)24-26(32)17-9-5-7-11-19(17)28(34)30(24)36/h4-14,31,33,35H,3H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051626
PNG
(4-Hydroxy-7-methoxy-3-(toluene-4-sulfonyl)-chromen...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H14O6S/c1-10-3-6-12(7-4-10)24(20,21)16-15(18)13-8-5-11(22-2)9-14(13)23-17(16)19/h3-9,18H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051630
PNG
(2-(4-Chloro-phenylsulfanylmethyl)-3-hydroxy-[1,4]n...)
Show SMILES Clc1ccc(SCC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3S/c18-10-5-7-11(8-6-10)22-9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051636
PNG
(CHEMBL431195 | NSC-647410)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C31H33N3O5S/c1-22-13-15-25(16-14-22)40(37,38)33-32-24(17-20-34-18-7-8-19-34)21-27(23-9-3-2-4-10-23)29-30(35)26-11-5-6-12-28(26)39-31(29)36/h2-6,9-16,27,33,35H,7-8,17-21H2,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50051626
PNG
(4-Hydroxy-7-methoxy-3-(toluene-4-sulfonyl)-chromen...)
Show SMILES COc1ccc2c(O)c(c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H14O6S/c1-10-3-6-12(7-4-10)24(20,21)16-15(18)13-8-5-11(22-2)9-14(13)23-17(16)19/h3-9,18H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051630
PNG
(2-(4-Chloro-phenylsulfanylmethyl)-3-hydroxy-[1,4]n...)
Show SMILES Clc1ccc(SCC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H11ClO3S/c18-10-5-7-11(8-6-10)22-9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,14H,9H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%