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Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50041211   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2257
PNG
(2-Pyridinone derivative 37 | 3-{[(4,7-Dichlorobenz...)
Show SMILES CCc1cc(SCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H14Cl2N2O2S/c1-3-9-6-12(16(21)19-8(9)2)23-7-13-20-14-10(17)4-5-11(18)15(14)22-13/h4-6H,3,7H2,1-2H3,(H,19,21)
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n/an/a 11n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2257
PNG
(2-Pyridinone derivative 37 | 3-{[(4,7-Dichlorobenz...)
Show SMILES CCc1cc(SCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H14Cl2N2O2S/c1-3-9-6-12(16(21)19-8(9)2)23-7-13-20-14-10(17)4-5-11(18)15(14)22-13/h4-6H,3,7H2,1-2H3,(H,19,21)
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n/an/a 11n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2250
PNG
(2-Pyridinone derivative 30 | 3-[2-(4-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(F)cccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17FN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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n/an/a 13n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2250
PNG
(2-Pyridinone derivative 30 | 3-[2-(4-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(F)cccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17FN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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n/an/a 13n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2223
PNG
(2-Pyridinone derivative 21 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16Cl2N2O2/c1-3-10-8-11(17(22)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)23-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2223
PNG
(2-Pyridinone derivative 21 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16Cl2N2O2/c1-3-10-8-11(17(22)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)23-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2242
PNG
(2-Pyridinone derivative 22 | 3-[2-(4,7-Difluoroben...)
Show SMILES CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16F2N2O2/c1-3-10-8-11(17(22)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)23-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2242
PNG
(2-Pyridinone derivative 22 | 3-[2-(4,7-Difluoroben...)
Show SMILES CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16F2N2O2/c1-3-10-8-11(17(22)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)23-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2249
PNG
(2-Pyridinone derivative 29 | 3-[2-(4,7-Difluoroben...)
Show SMILES CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H16F2N2OS/c1-3-10-8-11(17(23)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)22-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)
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n/an/a 15n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2236
PNG
(2-Pyridinone derivative 16 | 3-[2-(4-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(F)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17FN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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n/an/a 15n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2236
PNG
(2-Pyridinone derivative 16 | 3-[2-(4-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(F)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17FN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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n/an/a 15n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2249
PNG
(2-Pyridinone derivative 29 | 3-[2-(4,7-Difluoroben...)
Show SMILES CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H16F2N2OS/c1-3-10-8-11(17(23)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)22-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)
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n/an/a 15n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 20n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 20n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2215
PNG
(3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-...)
Show SMILES CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
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n/an/a 23n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2215
PNG
(3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-...)
Show SMILES CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
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n/an/a 23n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2246
PNG
(2-Pyridinone derivative 26 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCc1cc(CCc2nc3ccccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H18N2OS/c1-3-12-10-13(17(21)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)20-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,21)
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n/an/a 24n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2246
PNG
(2-Pyridinone derivative 26 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCc1cc(CCc2nc3ccccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H18N2OS/c1-3-12-10-13(17(21)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)20-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,21)
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n/an/a 24n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2222
PNG
(2-Pyridinone derivative 20 | 3-[2-(4,7-dimethyl-1,...)
Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)
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n/an/a 28n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2222
PNG
(2-Pyridinone derivative 20 | 3-[2-(4,7-dimethyl-1,...)
Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)
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n/an/a 28n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2253
PNG
(2-Pyridinone derivative 33 | 3-[2-(7-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17ClN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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n/an/a 29n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2253
PNG
(2-Pyridinone derivative 33 | 3-[2-(7-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17ClN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2252
PNG
(2-Pyridinone derivative 32 | 3-[2-(4-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17ClN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2248
PNG
(2-Pyridinone derivative 28 | 3-[2-(4,7-Dichloroben...)
Show SMILES CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H16Cl2N2OS/c1-3-10-8-11(17(23)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)22-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2252
PNG
(2-Pyridinone derivative 32 | 3-[2-(4-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17ClN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2248
PNG
(2-Pyridinone derivative 28 | 3-[2-(4,7-Dichloroben...)
Show SMILES CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H16Cl2N2OS/c1-3-10-8-11(17(23)20-9(10)2)4-7-14-21-15-12(18)5-6-13(19)16(15)22-14/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2234
PNG
(2-Pyridinone derivative 14 | 3-[2-(4-Methylbenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(C)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-4-13-10-14(18(21)19-12(13)3)8-9-16-20-17-11(2)6-5-7-15(17)22-16/h5-7,10H,4,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2234
PNG
(2-Pyridinone derivative 14 | 3-[2-(4-Methylbenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(C)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-4-13-10-14(18(21)19-12(13)3)8-9-16-20-17-11(2)6-5-7-15(17)22-16/h5-7,10H,4,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2276
PNG
(2-Pyridinone derivative 57 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18Cl2N2O2/c1-3-4-11-9-12(18(23)21-10(11)2)5-8-15-22-16-13(19)6-7-14(20)17(16)24-15/h6-7,9H,3-5,8H2,1-2H3,(H,21,23)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2276
PNG
(2-Pyridinone derivative 57 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18Cl2N2O2/c1-3-4-11-9-12(18(23)21-10(11)2)5-8-15-22-16-13(19)6-7-14(20)17(16)24-15/h6-7,9H,3-5,8H2,1-2H3,(H,21,23)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2239
PNG
(2-Pyridinone derivative 19 | 3-[2-(7-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(F)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17FN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2239
PNG
(2-Pyridinone derivative 19 | 3-[2-(7-Fluorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(F)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17FN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2238
PNG
(2-Pyridinone derivative 18 | 3-[2-(7-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17ClN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2238
PNG
(2-Pyridinone derivative 18 | 3-[2-(7-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17ClN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2237
PNG
(2-Pyridinone derivative 17 | 3-[2-(7-Methylbenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(C)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-4-13-10-14(18(21)19-12(13)3)8-9-16-20-15-7-5-6-11(2)17(15)22-16/h5-7,10H,4,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2237
PNG
(2-Pyridinone derivative 17 | 3-[2-(7-Methylbenzoxa...)
Show SMILES CCc1cc(CCc2nc3cccc(C)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-4-13-10-14(18(21)19-12(13)3)8-9-16-20-15-7-5-6-11(2)17(15)22-16/h5-7,10H,4,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2251
PNG
(2-Pyridinone derivative 31 | 3-[ 2-(7-Fluorobenzox...)
Show SMILES CCc1cc(CCc2nc3cccc(F)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17FN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2251
PNG
(2-Pyridinone derivative 31 | 3-[ 2-(7-Fluorobenzox...)
Show SMILES CCc1cc(CCc2nc3cccc(F)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C17H17FN2OS/c1-3-11-9-12(17(22)19-10(11)2)7-8-15-20-14-6-4-5-13(18)16(14)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,22)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2268
PNG
(2-Pyridinone derivative 48 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CC(C)c1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-11(2)14-10-13(18(21)19-12(14)3)8-9-17-20-15-6-4-5-7-16(15)22-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2268
PNG
(2-Pyridinone derivative 48 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CC(C)c1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-11(2)14-10-13(18(21)19-12(14)3)8-9-17-20-15-6-4-5-7-16(15)22-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2247
PNG
(2-Pyridinone derivative 27 | 3-[2-(4,7-Dimethylben...)
Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C19H22N2OS/c1-5-14-10-15(19(23)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)22-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,23)
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Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2247
PNG
(2-Pyridinone derivative 27 | 3-[2-(4,7-Dimethylben...)
Show SMILES CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C
Show InChI InChI=1S/C19H22N2OS/c1-5-14-10-15(19(23)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)22-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,23)
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Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2230
PNG
(2-Pyridinone derivative 10 | 3-[2-(4,5,6,7-Tetrahy...)
Show SMILES CCc1cc(CCc2nc3CCCCc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H22N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h10H,3-9H2,1-2H3,(H,18,20)
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n/an/a 58n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50407136
PNG
(CHEMBL176463)
Show SMILES CCc1cc(CCC2=NC3CCCCC3O2)c(=O)[nH]c1C |t:7|
Show InChI InChI=1S/C17H24N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h10,14-15H,3-9H2,1-2H3,(H,18,20)
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n/an/a 58n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2235
PNG
(2-Pyridinone derivative 15 | 3-[2-(4-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17ClN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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n/an/a 62n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2235
PNG
(2-Pyridinone derivative 15 | 3-[2-(4-Chlorobenzoxa...)
Show SMILES CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H17ClN2O2/c1-3-11-9-12(17(21)19-10(11)2)7-8-15-20-16-13(18)5-4-6-14(16)22-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)
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n/an/a 62n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2267
PNG
(2-Pyridinone derivative 47 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-3-6-13-11-14(18(21)19-12(13)2)9-10-17-20-15-7-4-5-8-16(15)22-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)
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n/an/a 83n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2267
PNG
(2-Pyridinone derivative 47 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-3-6-13-11-14(18(21)19-12(13)2)9-10-17-20-15-7-4-5-8-16(15)22-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)
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n/an/a 83n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2256
PNG
(2-Pyridinone derivative 36 | 3-[(4,7-Dichlorobenzo...)
Show SMILES CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H14Cl2N2O3/c1-3-9-6-12(16(21)19-8(9)2)22-7-13-20-14-10(17)4-5-11(18)15(14)23-13/h4-6H,3,7H2,1-2H3,(H,19,21)
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n/an/a 88n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2256
PNG
(2-Pyridinone derivative 36 | 3-[(4,7-Dichlorobenzo...)
Show SMILES CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H14Cl2N2O3/c1-3-9-6-12(16(21)19-8(9)2)22-7-13-20-14-10(17)4-5-11(18)15(14)23-13/h4-6H,3,7H2,1-2H3,(H,19,21)
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n/an/a 88n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


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 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
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