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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'hudson' and Initial = 'ra'   
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
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50038413
PNG
(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2
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18n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
BindingDB Entry DOI: 10.7270/Q24F1PS9
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50038415
PNG
((2,3-Dihydroxy-benzyl)-trimethyl-ammonium; bromide...)
Show SMILES C[N+](C)(C)Cc1cccc(O)c1O
Show InChI InChI=1S/C10H15NO2/c1-11(2,3)7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3,(H-,12,13)/p+1
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2.80E+4n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
BindingDB Entry DOI: 10.7270/Q24F1PS9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)
BDBM50048111
PNG
((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)
Show SMILES C[N+](C)(C)c1cccc(O)c1O
Show InChI InChI=1S/C9H13NO2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,1-3H3,(H-,11,12)/p+1
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6.00E+4n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of high affinity dopamine uptake at concentration of 1 microM


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048111
PNG
((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)
Show SMILES C[N+](C)(C)c1cccc(O)c1O
Show InChI InChI=1S/C9H13NO2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,1-3H3,(H-,11,12)/p+1
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9.00E+4n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition constant of high-affinity choline uptake


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)
BDBM50048110
PNG
(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)
Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1
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1.30E+5n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition constant of high-affinity 5-HT uptake


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048110
PNG
(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)
Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1
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3.90E+5n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition constant of high-affinity 5-HT uptake


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50048110
PNG
(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)
Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1
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5.30E+5n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition constant of high-affinity dopamine uptake


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Choline O-acetyltransferase


(RAT)
BDBM50048111
PNG
((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)
Show SMILES C[N+](C)(C)c1cccc(O)c1O
Show InChI InChI=1S/C9H13NO2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,1-3H3,(H-,11,12)/p+1
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1.50E+7n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Choline O-acetyltransferase


(RAT)
BDBM50048110
PNG
(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)
Show SMILES C[N+](C)(C)CC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-12(2,3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,15H,7H2,1-3H3,(H-,13,14)/p+1
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2.50E+7n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
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n/an/a 600n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105589
PNG
(2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2
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n/an/a 2.36E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105589
PNG
(2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2
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n/an/a 3.83E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105592
PNG
(2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...)
Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O
Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2
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n/an/a 6.33E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109695
PNG
(3,4,5-Trihydroxy-benzoic acid phenethyl ester | CH...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O5/c16-12-8-11(9-13(17)14(12)18)15(19)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,16-18H,6-7H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105592
PNG
(2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...)
Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O
Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 3.08E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105585
PNG
(2,3,4-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O7/c17-9-2-1-8-5-10(7-22-13(8)6-9)23-16(21)11-3-4-12(18)15(20)14(11)19/h1-4,6,10,17-20H,5,7H2
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n/an/a 3.08E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105585
PNG
(2,3,4-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O7/c17-9-2-1-8-5-10(7-22-13(8)6-9)23-16(21)11-3-4-12(18)15(20)14(11)19/h1-4,6,10,17-20H,5,7H2
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n/an/a 3.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 3.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a 3.72E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105590
PNG
(2,3-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cccc(O)c1O
Show InChI InChI=1S/C16H14O7/c17-8-4-13(19)11-6-9(7-22-14(11)5-8)23-16(21)10-2-1-3-12(18)15(10)20/h1-5,9,17-20H,6-7H2
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n/an/a 3.72E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105586
PNG
(2,3,4-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1ccc(C(=O)OC2COc3cccc(O)c3C2)c(O)c1O
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-13-10(11)6-8(7-22-13)23-16(21)9-4-5-12(18)15(20)14(9)19/h1-5,8,17-20H,6-7H2
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n/an/a 4.55E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 4.55E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105586
PNG
(2,3,4-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1ccc(C(=O)OC2COc3cccc(O)c3C2)c(O)c1O
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-13-10(11)6-8(7-22-13)23-16(21)9-4-5-12(18)15(20)14(9)19/h1-5,8,17-20H,6-7H2
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n/an/a 6.47E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 6.47E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 7.28E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109695
PNG
(3,4,5-Trihydroxy-benzoic acid phenethyl ester | CH...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O5/c16-12-8-11(9-13(17)14(12)18)15(19)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,16-18H,6-7H2
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n/an/a 7.29E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)
BDBM50048111
PNG
((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)
Show SMILES C[N+](C)(C)c1cccc(O)c1O
Show InChI InChI=1S/C9H13NO2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,1-3H3,(H-,11,12)/p+1
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PubMed
n/an/a 8.30E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of high affinity choline uptake at concentration of 1 microM


J Med Chem 36: 1893-901 (1993)


BindingDB Entry DOI: 10.7270/Q2RX9B5J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105593
PNG
(2,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1ccc(C(=O)OC2COc3cc(O)cc(O)c3C2)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-8-1-2-11(13(19)3-8)16(21)23-10-6-12-14(20)4-9(18)5-15(12)22-7-10/h1-5,10,17-20H,6-7H2
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PubMed
n/an/a 9.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109691
PNG
(3,5-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)cc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-9-1-8(2-10(18)3-9)16(21)23-12-6-13-14(20)4-11(19)5-15(13)22-7-12/h1-5,12,17-20H,6-7H2
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PubMed
n/an/a 9.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105584
PNG
(3-Hydroxy-benzoic acid 5,7-dihydroxy-chroman-3-yl ...)
Show SMILES Oc1cccc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C16H14O6/c17-10-3-1-2-9(4-10)16(20)22-12-7-13-14(19)5-11(18)6-15(13)21-8-12/h1-6,12,17-19H,7-8H2
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50085536
PNG
(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Show SMILES OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
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