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PubMed code 7473544

Compile data set for download or QSAR
Found 32 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
Integrase


(Human immunodeficiency virus 1)		BDBM50029204
PNG
((E)-3-(2,3,4-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-8-6-13(16(20)17(14)21)7-9-15(19)22-11-10-12-4-2-1-3-5-12/h1-9,18,20-21H,10-11H2/b9-7+
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029218
PNG
((E)-3-(3,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc(O)c1O
Show InChI InChI=1S/C17H16O5/c18-14-10-13(11-15(19)17(14)21)6-7-16(20)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-19,21H,8-9H2/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029213
PNG
(3-(3,4-Dihydroxy-phenyl)-N-[2-(3,4-dihydroxy-pheny...)
Show SMILES Oc1ccc(CCNC(=O)CCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C17H19NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-2,4-5,9-10,19-22H,3,6-8H2,(H,18,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029202
PNG
(3-(3,4-Dihydroxy-phenyl)-N-[2-(3,4,5-trihydroxy-ph...)
Show SMILES Oc1ccc(CCC(=O)NCCc2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C17H19NO6/c19-12-3-1-10(7-13(12)20)2-4-16(23)18-6-5-11-8-14(21)17(24)15(22)9-11/h1,3,7-9,19-22,24H,2,4-6H2,(H,18,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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n/an/a 7.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029219
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-phenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c19-16-10-8-15(13-17(16)20)9-11-18(21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19-20H,4,7,12H2/b11-9+
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029224
PNG
(5,6-Dihydroxy-naphthalene-2-carboxylic acid methyl...)
Show SMILES COC(=O)c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C12H10O4/c1-16-12(15)8-2-4-9-7(6-8)3-5-10(13)11(9)14/h2-6,13-14H,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029198
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+
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n/an/a 9.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029211
PNG
(3-(3,4-Dihydroxy-phenyl)-propionic acid phenethyl ...)
Show SMILES Oc1ccc(CCC(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H18O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-6,8,12,18-19H,7,9-11H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029222
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid methy...)
Show SMILES COC(=O)c1cc2ccc(O)c(O)c2cn1
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)8-4-6-2-3-9(13)10(14)7(6)5-12-8/h2-5,13-14H,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029210
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc3ccccc23)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-10-8-15(14-20(19)23)9-11-21(24)25-13-12-17-6-3-5-16-4-1-2-7-18(16)17/h1-11,14,22-23H,12-13H2/b11-9+
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029217
PNG
(5,6-Dihydroxy-naphthalene-2-carboxylic acid phenet...)
Show SMILES Oc1ccc2cc(ccc2c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C19H16O4/c20-17-9-7-14-12-15(6-8-16(14)18(17)21)19(22)23-11-10-13-4-2-1-3-5-13/h1-9,12,20-21H,10-11H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029221
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid phene...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H16N2O3/c21-16-7-6-13-10-15(20-11-14(13)17(16)22)18(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,21-22H,8-9H2,(H,19,23)
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029214
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-naphth...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C21H18O4/c22-19-9-6-15(14-20(19)23)7-10-21(24)25-12-11-16-5-8-17-3-1-2-4-18(17)13-16/h1-10,13-14,22-23H,11-12H2/b10-7+
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n/an/a 4.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029208
PNG
(6,7-Dihydroxy-2-imino-2H-chromene-3-carboxylic aci...)
Show SMILES NC(=O)c1cc2cc(O)c(O)cc2oc1=N
Show InChI InChI=1S/C10H8N2O4/c11-9(15)5-1-4-2-6(13)7(14)3-8(4)16-10(5)12/h1-3,12-14H,(H2,11,15)
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n/an/a 4.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029212
PNG
((E)-3-(2,4,5-Trihydroxy-phenyl)-acrylic acid phene...)
Show SMILES Oc1cc(O)c(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O5/c18-14-11-16(20)15(19)10-13(14)6-7-17(21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-20H,8-9H2/b7-6+
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n/an/a 5.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029215
PNG
((E)-3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a 6.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029223
PNG
(6,7-Dihydroxy-naphthalene-2-carboxylic acid phenet...)
Show SMILES Oc1cc2ccc(cc2cc1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C19H16O4/c20-17-11-14-6-7-15(10-16(14)12-18(17)21)19(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-12,20-21H,8-9H2
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n/an/a 6.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029199
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)
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n/an/a 7.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029220
PNG
(7,8-Dihydroxy-2-imino-2H-chromene-3-carboxylic aci...)
Show SMILES NC(=O)c1cc2ccc(O)c(O)c2oc1=N
Show InChI InChI=1S/C10H8N2O4/c11-9(15)5-3-4-1-2-6(13)7(14)8(4)16-10(5)12/h1-3,12-14H,(H2,11,15)
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n/an/a 9.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029203
PNG
(CHEMBL132194 | N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-...)
Show SMILES Oc1ccc(CCNC(=O)CCc2ccccc2)cc1O
Show InChI InChI=1S/C17H19NO3/c19-15-8-6-14(12-16(15)20)10-11-18-17(21)9-7-13-4-2-1-3-5-13/h1-6,8,12,19-20H,7,9-11H2,(H,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029205
PNG
(6,7-Dihydroxy-isoquinoline-3-carboxylic acid methy...)
Show SMILES COC(=O)c1cc2cc(O)c(O)cc2cn1
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)8-2-6-3-9(13)10(14)4-7(6)5-12-8/h2-5,13-14H,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
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM4301
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...)
Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029206
PNG
((E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid phenethy...)
Show SMILES COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC
Show InChI InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029196
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...)
Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029195
PNG
((E)-3-(3,4-Difluoro-phenyl)-acrylic acid phenethyl...)
Show SMILES Fc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1F
Show InChI InChI=1S/C17H14F2O2/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b9-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029197
PNG
(CHEMBL134573 | N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-...)
Show SMILES Oc1ccc(CCNC(=O)Cc2ccccc2)cc1O
Show InChI InChI=1S/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029201
PNG
(6,7-Dihydroxy-isoquinoline-3-carboxylic acid benzy...)
Show SMILES Oc1cc2cnc(cc2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-15-7-12-6-14(18-10-13(12)8-16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029216
PNG
((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ph...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029200
PNG
(3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide ...)
Show SMILES Oc1ccc(CCC(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H19NO3/c19-15-8-6-14(12-16(15)20)7-9-17(21)18-11-10-13-4-2-1-3-5-13/h1-6,8,12,19-20H,7,9-11H2,(H,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50029225
PNG
((E)-3-(2,5-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(O)c(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C17H16O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.

J Med Chem 38: 4171-8 (1995)


BindingDB Entry DOI: 10.7270/Q2SB44R7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%