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PubMed code 11591519

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
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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PubMed
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(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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UniChem
PubMed
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(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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UniChem
PubMed
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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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UniChem
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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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
PDB
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UniChem
PubMed
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(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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UniChem
PubMed
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
PDB
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UniChem
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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 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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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
PDB
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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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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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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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50105588
PNG
(2,3,4-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1ccc(C(=O)OC2COc3ccccc3C2)c(O)c1O
Show InChI InChI=1S/C16H14O6/c17-12-6-5-11(14(18)15(12)19)16(20)22-10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,17-19H,7-8H2
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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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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)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105588
PNG
(2,3,4-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1ccc(C(=O)OC2COc3ccccc3C2)c(O)c1O
Show InChI InChI=1S/C16H14O6/c17-12-6-5-11(14(18)15(12)19)16(20)22-10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,17-19H,7-8H2
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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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%