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PubMed code 1279172

Compile data set for download or QSAR
Found 22 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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1057
PNG
(2-{[(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-y...)
Show SMILES CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17N3O3/c1-3-11-8-14(15(21)19-10(11)2)18-9-20-16(22)12-6-4-5-7-13(12)17(20)23/h4-8,18H,3,9H2,1-2H3,(H,19,21)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1058
PNG
(2-pyridinone deriv. 12 | 2-{[(6-methyl-2-oxo-5-pro...)
Show SMILES CCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H19N3O3/c1-3-6-12-9-15(16(22)20-11(12)2)19-10-21-17(23)13-7-4-5-8-14(13)18(21)24/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1059
PNG
(2-pyridinone deriv. 13 | 2-{[(5-butyl-6-methyl-2-o...)
Show SMILES CCCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C19H21N3O3/c1-3-4-7-13-10-16(17(23)21-12(13)2)20-11-22-18(24)14-8-5-6-9-15(14)19(22)25/h5-6,8-10,20H,3-4,7,11H2,1-2H3,(H,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1056
PNG
(2-pyridinone deriv. 11 | 2-{[(5,6-dimethyl-2-oxo-1...)
Show SMILES Cc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15N3O3/c1-9-7-13(14(20)18-10(9)2)17-8-19-15(21)11-5-3-4-6-12(11)16(19)22/h3-7,17H,8H2,1-2H3,(H,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1060
PNG
(2-{[(6-ethyl-5-methyl-2-oxo-1,2-dihydropyridin-3-y...)
Show SMILES CCc1[nH]c(=O)c(NCN2C(=O)c3ccccc3C2=O)cc1C
Show InChI InChI=1S/C17H17N3O3/c1-3-13-10(2)8-14(15(21)19-13)18-9-20-16(22)11-6-4-5-7-12(11)17(20)23/h4-8,18H,3,9H2,1-2H3,(H,19,21)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1054
PNG
(2-pyridinone deriv. 9 | 2-{[(2-oxo-1,2-dihydropyri...)
Show SMILES O=C1N(CNc2ccc[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C14H11N3O3/c18-12-11(6-3-7-15-12)16-8-17-13(19)9-4-1-2-5-10(9)14(17)20/h1-7,16H,8H2,(H,15,18)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1061
PNG
(2-pyridinone deriv. 15 | 2-{[(2-oxo-1,2,5,6,7,8-he...)
Show SMILES O=C1N(CNc2cc3CCCCc3[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C18H17N3O3/c22-16-15(9-11-5-1-4-8-14(11)20-16)19-10-21-17(23)12-6-2-3-7-13(12)18(21)24/h2-3,6-7,9,19H,1,4-5,8,10H2,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1066
PNG
(2-[2-(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-...)
Show SMILES CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-7,10H,3,8-9H2,1-2H3,(H,19,21)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1072
PNG
(2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)ethyl...)
Show SMILES CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(OC)nc1C
Show InChI InChI=1S/C19H20N2O3/c1-4-13-11-14(17(24-3)20-12(13)2)9-10-21-18(22)15-7-5-6-8-16(15)19(21)23/h5-8,11H,4,9-10H2,1-3H3
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1055
PNG
(2-pyridinone deriv. 10 | 2-{[(6-methyl-2-oxo-1,2-d...)
Show SMILES Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]1
Show InChI InChI=1S/C15H13N3O3/c1-9-6-7-12(13(19)17-9)16-8-18-14(20)10-4-2-3-5-11(10)15(18)21/h2-7,16H,8H2,1H3,(H,17,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1071
PNG
(2-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)methyl]...)
Show SMILES CCc1cc(CN2C(=O)c3ccccc3C2=O)c(OC)nc1C
Show InChI InChI=1S/C18H18N2O3/c1-4-12-9-13(16(23-3)19-11(12)2)10-20-17(21)14-7-5-6-8-15(14)18(20)22/h5-9H,4,10H2,1-3H3
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1065
PNG
(2-[(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl...)
Show SMILES CCc1cc(CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16N2O3/c1-3-11-8-12(15(20)18-10(11)2)9-19-16(21)13-6-4-5-7-14(13)17(19)22/h4-8H,3,9H2,1-2H3,(H,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1062
PNG
(2-pyridinone deriv. 16 | 2-{2-[(5-ethyl-6-methyl-2...)
Show SMILES CCc1cc(NCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H19N3O3/c1-3-12-10-15(16(22)20-11(12)2)19-8-9-21-17(23)13-6-4-5-7-14(13)18(21)24/h4-7,10,19H,3,8-9H2,1-2H3,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1070
PNG
(2-[(E)-2-(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridi...)
Show SMILES CCc1cc(\C=C\N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H16N2O3/c1-3-12-10-13(16(21)19-11(12)2)8-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)/b9-8+
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1063
PNG
(2-pyridinone deriv. 17 | 2-{3-[(5-ethyl-6-methyl-2...)
Show SMILES CCc1cc(NCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C19H21N3O3/c1-3-13-11-16(17(23)21-12(13)2)20-9-6-10-22-18(24)14-7-4-5-8-15(14)19(22)25/h4-5,7-8,11,20H,3,6,9-10H2,1-2H3,(H,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1067
PNG
(2-[3-(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-...)
Show SMILES CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C19H20N2O3/c1-3-13-11-14(17(22)20-12(13)2)7-6-10-21-18(23)15-8-4-5-9-16(15)19(21)24/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1064
PNG
(2-[2-(2-oxo-1,2-dihydropyridin-3-yl)ethyl]-2,3-dih...)
Show SMILES O=C1N(CCc2ccc[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C15H12N2O3/c18-13-10(4-3-8-16-13)7-9-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-6,8H,7,9H2,(H,16,18)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1075
PNG
(2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2-hy...)
Show SMILES CCc1cc(C(O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C
Show InChI InChI=1S/C19H20N2O4/c1-4-12-9-15(17(25-3)20-11(12)2)16(22)10-21-18(23)13-7-5-6-8-14(13)19(21)24/h5-9,16,22H,4,10H2,1-3H3
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1073
PNG
(2-[3-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)propy...)
Show SMILES CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(OC)nc1C
Show InChI InChI=1S/C20H22N2O3/c1-4-14-12-15(18(25-3)21-13(14)2)8-7-11-22-19(23)16-9-5-6-10-17(16)20(22)24/h5-6,9-10,12H,4,7-8,11H2,1-3H3
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1068
PNG
(2-[2-(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-...)
Show SMILES CCc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H16N2O4/c1-3-11-8-14(16(22)19-10(11)2)15(21)9-20-17(23)12-6-4-5-7-13(12)18(20)24/h4-8H,3,9H2,1-2H3,(H,19,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1069
PNG
(2-[2-(5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-...)
Show SMILES CCc1cc(C(O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18N2O4/c1-3-11-8-14(16(22)19-10(11)2)15(21)9-20-17(23)12-6-4-5-7-13(12)18(20)24/h4-8,15,21H,3,9H2,1-2H3,(H,19,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1074
PNG
(2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2-ox...)
Show SMILES CCc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C
Show InChI InChI=1S/C19H18N2O4/c1-4-12-9-15(17(25-3)20-11(12)2)16(22)10-21-18(23)13-7-5-6-8-14(13)19(21)24/h5-9H,4,10H2,1-3H3
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 35: 3784-91 (1992)

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