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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'aberham' and Initial = 'c'   
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 integrase


(Human immunodeficiency virus 1)
BDBM50073628
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+
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n/an/a 400n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073628
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+
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n/an/a 400n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076267
PNG
((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076267
PNG
((2S,3S)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076281
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-carbox...)
Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H19NO9/c23-15-5-1-12(9-17(15)25)3-7-19(27)22-14(21(29)30)11-31-20(28)8-4-13-2-6-16(24)18(26)10-13/h1-10,14,23-26H,11H2,(H,22,27)(H,29,30)/b7-3+,8-4+
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073631
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carbox...)
Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H18O10/c22-14-5-1-12(9-16(14)24)3-7-19(26)30-11-18(21(28)29)31-20(27)8-4-13-2-6-15(23)17(25)10-13/h1-10,18,22-25H,11H2,(H,28,29)/b7-3+,8-4+
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076276
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 1-carbox...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCC(OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C29H26O14/c1-16(30)39-22-9-5-20(13-24(22)41-18(3)32)7-11-27(34)38-15-26(29(36)37)43-28(35)12-8-21-6-10-23(40-17(2)31)25(14-21)42-19(4)33/h5-14,26H,15H2,1-4H3,(H,36,37)/b11-7+,12-8+
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076275
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076279
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (S)-2-[(...)
Show SMILES COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076276
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 1-carbox...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCC(OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C29H26O14/c1-16(30)39-22-9-5-20(13-24(22)41-18(3)32)7-11-27(34)38-15-26(29(36)37)43-28(35)12-8-21-6-10-23(40-17(2)31)25(14-21)42-19(4)33/h5-14,26H,15H2,1-4H3,(H,36,37)/b11-7+,12-8+
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076280
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (R)-2-[(...)
Show SMILES COC(=O)[C@@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076280
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (R)-2-[(...)
Show SMILES COC(=O)[C@@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076275
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076281
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-carbox...)
Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H19NO9/c23-15-5-1-12(9-17(15)25)3-7-19(27)22-14(21(29)30)11-31-20(28)8-4-13-2-6-16(24)18(26)10-13/h1-10,14,23-26H,11H2,(H,22,27)(H,29,30)/b7-3+,8-4+
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n/an/a 3.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076279
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (S)-2-[(...)
Show SMILES COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076272
PNG
(2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C29H28N2O12/c1-16(32)40-23-9-5-20(13-25(23)42-18(3)34)7-11-27(36)30-15-22(29(38)39)31-28(37)12-8-21-6-10-24(41-17(2)33)26(14-21)43-19(4)35/h5-14,22H,15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)/b11-7+,12-8+
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n/an/a 4.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076272
PNG
(2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C29H28N2O12/c1-16(32)40-23-9-5-20(13-25(23)42-18(3)34)7-11-27(36)30-15-22(29(38)39)31-28(37)12-8-21-6-10-24(41-17(2)33)26(14-21)43-19(4)35/h5-14,22H,15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)/b11-7+,12-8+
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n/an/a 4.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073631
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carbox...)
Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H18O10/c22-14-5-1-12(9-16(14)24)3-7-19(26)30-11-18(21(28)29)31-20(27)8-4-13-2-6-15(23)17(25)10-13/h1-10,18,22-25H,11H2,(H,28,29)/b7-3+,8-4+
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n/an/a 4.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076263
PNG
((2S,3S)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@@H]([C@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076269
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]([C@@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076271
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H19NO7/c22-15-5-1-13(11-17(15)24)3-7-19(26)21-9-10-28-20(27)8-4-14-2-6-16(23)18(25)12-14/h1-8,11-12,22-25H,9-10H2,(H,21,26)/b7-3+,8-4+
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n/an/a 6.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073636
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+
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n/an/a 7.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076274
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076268
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H22O8/c1-13(29-21(27)9-5-15-3-7-17(23)19(25)11-15)14(2)30-22(28)10-6-16-4-8-18(24)20(26)12-16/h3-14,23-26H,1-2H3/b9-5+,10-6+/t13-,14-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076269
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]([C@@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076262
PNG
(2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...)
Show SMILES COC(=O)[C@@H](CNC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30N2O12/c1-17(33)41-24-10-6-21(14-26(24)43-19(3)35)8-12-28(37)31-16-23(30(39)40-5)32-29(38)13-9-22-7-11-25(42-18(2)34)27(15-22)44-20(4)36/h6-15,23H,16H2,1-5H3,(H,31,37)(H,32,38)/b12-8+,13-9+/t23-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076282
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H28O14/c1-17(31)40-23-10-6-21(14-25(23)42-19(3)33)8-12-28(35)39-16-27(30(37)38-5)44-29(36)13-9-22-7-11-24(41-18(2)32)26(15-22)43-20(4)34/h6-15,27H,16H2,1-5H3/b12-8+,13-9+
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n/an/a 1.01E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076282
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H28O14/c1-17(31)40-23-10-6-21(14-25(23)42-19(3)33)8-12-28(35)39-16-27(30(37)38-5)44-29(36)13-9-22-7-11-24(41-18(2)32)26(15-22)43-20(4)34/h6-15,27H,16H2,1-5H3/b12-8+,13-9+
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n/an/a 1.01E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076262
PNG
(2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...)
Show SMILES COC(=O)[C@@H](CNC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30N2O12/c1-17(33)41-24-10-6-21(14-26(24)43-19(3)35)8-12-28(37)31-16-23(30(39)40-5)32-29(38)13-9-22-7-11-25(42-18(2)34)27(15-22)44-20(4)36/h6-15,23H,16H2,1-5H3,(H,31,37)(H,32,38)/b12-8+,13-9+/t23-/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076274
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1
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n/an/a>2.48E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073636
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+
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n/an/a 2.75E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076271
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C20H19NO7/c22-15-5-1-13(11-17(15)24)3-7-19(26)21-9-10-28-20(27)8-4-14-2-6-16(23)18(25)12-14/h1-8,11-12,22-25H,9-10H2,(H,21,26)/b7-3+,8-4+
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n/an/a>2.75E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076263
PNG
((2S,3S)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@@H]([C@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m0/s1
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n/an/a 3.33E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076268
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H22O8/c1-13(29-21(27)9-5-15-3-7-17(23)19(25)11-15)14(2)30-22(28)10-6-16-4-8-18(24)20(26)12-16/h3-14,23-26H,1-2H3/b9-5+,10-6+/t13-,14-/m0/s1
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n/an/a>3.84E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076265
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H26O12/c1-17(29)37-23-9-5-21(15-25(23)39-19(3)31)7-11-27(33)35-13-14-36-28(34)12-8-22-6-10-24(38-18(2)30)26(16-22)40-20(4)32/h5-12,15-16H,13-14H2,1-4H3/b11-7+,12-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076265
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H26O12/c1-17(29)37-23-9-5-21(15-25(23)39-19(3)31)7-11-27(33)35-13-14-36-28(34)12-8-22-6-10-24(38-18(2)30)26(16-22)40-20(4)32/h5-12,15-16H,13-14H2,1-4H3/b11-7+,12-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076277
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H27NO11/c1-17(30)37-23-9-5-21(15-25(23)39-19(3)32)7-11-27(34)29-13-14-36-28(35)12-8-22-6-10-24(38-18(2)31)26(16-22)40-20(4)33/h5-12,15-16H,13-14H2,1-4H3,(H,29,34)/b11-7+,12-8+
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076278
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-acetyl...)
Show SMILES CC(=O)NC(COC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C14H15NO7/c1-8(16)15-10(14(20)21)7-22-13(19)5-3-9-2-4-11(17)12(18)6-9/h2-6,10,17-18H,7H2,1H3,(H,15,16)(H,20,21)/b5-3+
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n/an/a 1.11E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076277
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H27NO11/c1-17(30)37-23-9-5-21(15-25(23)39-19(3)32)7-11-27(34)29-13-14-36-28(35)12-8-22-6-10-24(38-18(2)31)26(16-22)40-20(4)33/h5-12,15-16H,13-14H2,1-4H3,(H,29,34)/b11-7+,12-8+
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076284
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-acetyl...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O
Show InChI InChI=1S/C19H21NO9/c1-11(21)20-15(19(25)26-4)10-27-18(24)8-6-14-5-7-16(28-12(2)22)17(9-14)29-13(3)23/h5-9,15H,10H2,1-4H3,(H,20,21)/b8-6+
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076261
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C32H32O12/c1-19(33)39-27-13-9-23(17-29(27)41-21(3)35)11-15-31(37)43-25-7-5-6-8-26(25)44-32(38)16-12-24-10-14-28(40-20(2)34)30(18-24)42-22(4)36/h9-18,25-26H,5-8H2,1-4H3/b15-11+,16-12+/t25-,26-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076278
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-acetyl...)
Show SMILES CC(=O)NC(COC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C14H15NO7/c1-8(16)15-10(14(20)21)7-22-13(19)5-3-9-2-4-11(17)12(18)6-9/h2-6,10,17-18H,7H2,1H3,(H,15,16)(H,20,21)/b5-3+
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n/an/a 3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076270
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](C)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30O12/c1-17(37-29(35)13-9-23-7-11-25(39-19(3)31)27(15-23)41-21(5)33)18(2)38-30(36)14-10-24-8-12-26(40-20(4)32)28(16-24)42-22(6)34/h7-18H,1-6H3/b13-9+,14-10+/t17-,18-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076266
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C29H28O12/c1-18(30)38-24-10-6-22(16-26(24)40-20(3)32)8-12-28(34)36-14-5-15-37-29(35)13-9-23-7-11-25(39-19(2)31)27(17-23)41-21(4)33/h6-13,16-17H,5,14-15H2,1-4H3/b12-8+,13-9+
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076270
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](C)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30O12/c1-17(37-29(35)13-9-23-7-11-25(39-19(3)31)27(15-23)41-21(5)33)18(2)38-30(36)14-10-24-8-12-26(40-20(4)32)28(16-24)42-22(6)34/h7-18H,1-6H3/b13-9+,14-10+/t17-,18-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076266
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C29H28O12/c1-18(30)38-24-10-6-22(16-26(24)40-20(3)32)8-12-28(34)36-14-5-15-37-29(35)13-9-23-7-11-25(39-19(2)31)27(17-23)41-21(4)33/h6-13,16-17H,5,14-15H2,1-4H3/b12-8+,13-9+
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076261
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C32H32O12/c1-19(33)39-27-13-9-23(17-29(27)41-21(3)35)11-15-31(37)43-25-7-5-6-8-26(25)44-32(38)16-12-24-10-14-28(40-20(2)34)30(18-24)42-22(4)36/h9-18,25-26H,5-8H2,1-4H3/b15-11+,16-12+/t25-,26-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076284
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-acetyl...)
Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O
Show InChI InChI=1S/C19H21NO9/c1-11(21)20-15(19(25)26-4)10-27-18(24)8-6-14-5-7-16(28-12(2)22)17(9-14)29-13(3)23/h5-9,15H,10H2,1-4H3,(H,20,21)/b8-6+
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n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
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