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Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'kankanala' and Initial = 'j'   
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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 25n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 29n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 33n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 62n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 140n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 170n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 180n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 200n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 200n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/D...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 260n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
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n/an/a 300n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 300n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
PDB
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n/an/a 300n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end directed cl...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 300n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end direc...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 400n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 400n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 400n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075216
PNG
(CHEMBL3414859)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(F)cc3)ccc2C1=O
Show InChI InChI=1S/C16H12FNO3/c17-13-4-1-10(2-5-13)7-11-3-6-14-12(8-11)9-15(19)18(21)16(14)20/h1-6,8,21H,7,9H2
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075214
PNG
(CHEMBL3414876)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3cc[nH+]cc3)ccc2C1=O
Show InChI InChI=1S/C21H16N2O3/c24-20-13-18-12-15(3-6-19(18)21(25)23(20)26)11-14-1-4-16(5-2-14)17-7-9-22-10-8-17/h1-10,12,26H,11,13H2/p+1
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075206
PNG
(CHEMBL3414870)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO5S/c1-30(28,29)20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 min...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075207
PNG
(CHEMBL3414871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
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n/an/a 500n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 580n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
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n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075206
PNG
(CHEMBL3414870)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO5S/c1-30(28,29)20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075295
PNG
(CHEMBL3414875)
Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
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n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075219
PNG
(CHEMBL3414866)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3cccs3)ccc2C1=O
Show InChI InChI=1S/C20H15NO3S/c22-19-12-16-11-14(5-8-17(16)20(23)21(19)24)10-13-3-6-15(7-4-13)18-2-1-9-25-18/h1-9,11,24H,10,12H2
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n/an/a 700n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 710n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
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n/an/a 750n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end direc...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075209
PNG
(CHEMBL3414865)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O
Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075213
PNG
(CHEMBL3414864)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O
Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075216
PNG
(CHEMBL3414859)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(F)cc3)ccc2C1=O
Show InChI InChI=1S/C16H12FNO3/c17-13-4-1-10(2-5-13)7-11-3-6-14-12(8-11)9-15(19)18(21)16(14)20/h1-6,8,21H,7,9H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075206
PNG
(CHEMBL3414870)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H19NO5S/c1-30(28,29)20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/D...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by l...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075214
PNG
(CHEMBL3414876)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3cc[nH+]cc3)ccc2C1=O
Show InChI InChI=1S/C21H16N2O3/c24-20-13-18-12-15(3-6-19(18)21(25)23(20)26)11-14-1-4-16(5-2-14)17-7-9-22-10-8-17/h1-10,12,26H,11,13H2/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075204
PNG
(CHEMBL3414868)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50075221
PNG
(CHEMBL3414873)
Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3F)ccc2C1=O
Show InChI InChI=1S/C22H15F2NO3/c23-17-6-8-18(20(24)12-17)15-4-1-13(2-5-15)9-14-3-7-19-16(10-14)11-21(26)25(28)22(19)27/h1-8,10,12,28H,9,11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...


J Med Chem 58: 651-64 (2015)


Article DOI: 10.1021/jm501132s
BindingDB Entry DOI: 10.7270/Q2W95BWG
More data for this
Ligand-Target Pair
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