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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'rausch' and Initial = 'jw'   
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


(Human immunodeficiency virus 1)
BDBM33411
PNG
(β-Thujaplicinol | hydroxytropolone, 3)
Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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n/an/a 210n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484003
PNG
(CHEMBL1802249)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)CC |r|
Show InChI InChI=1S/C17H24O6S/c1-4-24(22,23)9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 2)
BDBM33411
PNG
(β-Thujaplicinol | hydroxytropolone, 3)
Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of HIV-2 reverse transcriptase


Antimicrob Agents Chemother 54: 3913-21 (2010)


Article DOI: 10.1128/AAC.00434-10
BindingDB Entry DOI: 10.7270/Q2JW8F56
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492114
PNG
(CHEMBL2397283)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H12N2O3S/c1-6-7(2)20-14-11(6)13(19)15-12(16-14)8-3-4-9(17)10(18)5-8/h3-5,17-18H,1-2H3,(H,15,16,19)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492104
PNG
(CHEMBL2397405)
Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H18N2O3S/c21-12-8-7-10(9-13(12)22)16-19-17(23)15-11-5-3-1-2-4-6-14(11)24-18(15)20-16/h7-9,21-22H,1-6H2,(H,19,20,23)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492105
PNG
(CHEMBL2397404)
Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O3S/c20-11-7-6-9(8-12(11)21)15-18-16(22)14-10-4-2-1-3-5-13(10)23-17(14)19-15/h6-8,20-21H,1-5H2,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492128
PNG
(CHEMBL2397402)
Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O3S/c18-9-5-4-7(6-10(9)19)13-16-14(20)12-8-2-1-3-11(8)21-15(12)17-13/h4-6,18-19H,1-3H2,(H,16,17,20)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492132
PNG
(CHEMBL2397403)
Show SMILES Oc1ccc(cc1O)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O3S/c19-10-6-5-8(7-11(10)20)14-17-15(21)13-9-3-1-2-4-12(9)22-16(13)18-14/h5-7,19-20H,1-4H2,(H,17,18,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484009
PNG
(CHEMBL1802246)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCC |r|
Show InChI InChI=1S/C17H24O4S/c1-4-22-9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492120
PNG
(CHEMBL2397400)
Show SMILES CCCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H18N2O3S/c1-3-4-5-11-9(2)23-17-14(11)16(22)18-15(19-17)10-6-7-12(20)13(21)8-10/h6-8,20-21H,3-5H2,1-2H3,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492129
PNG
(CHEMBL2397393)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H13N3OS/c1-8-9(2)21-16-13(8)15(20)18-14(19-16)12-7-10-5-3-4-6-11(10)17-12/h3-7,17H,1-2H3,(H,18,19,20)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492107
PNG
(CHEMBL2397399)
Show SMILES CCCc1c(C)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H16N2O3S/c1-3-4-10-8(2)22-16-13(10)15(21)17-14(18-16)9-5-6-11(19)12(20)7-9/h5-7,19-20H,3-4H2,1-2H3,(H,17,18,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484014
PNG
(CHEMBL1802034)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN(CC)CC |r|
Show InChI InChI=1S/C19H29NO4/c1-5-20(6-2)11-19(4,24)13-7-8-14-15(10-13)12(3)9-16(21)18(23)17(14)22/h9,13,24H,5-8,10-11H2,1-4H3,(H2,21,22,23)/t13-,19?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484004
PNG
(CHEMBL1802251)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H24O6S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-28(26,27)15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492106
PNG
(CHEMBL2397401)
Show SMILES CCCc1c(CC)sc2nc([nH]c(=O)c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H18N2O3S/c1-3-5-10-13(4-2)23-17-14(10)16(22)18-15(19-17)9-6-7-11(20)12(21)8-9/h6-8,20-21H,3-5H2,1-2H3,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484017
PNG
(CHEMBL1802031)
Show SMILES CC(=C)[C@H]1CCc2c(C1)c(C)cc(O)c(=O)c2O |r|
Show InChI InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484015
PNG
(CHEMBL1802253)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)O |r|
Show InChI InChI=1S/C14H18O4/c1-7-5-12(16)14(18)13(17)10-4-3-9(8(2)15)6-11(7)10/h5,8-9,15H,3-4,6H2,1-2H3,(H2,16,17,18)/t8?,9-/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492134
PNG
(CHEMBL2397413)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C14H12N2O4S/c1-5-6(2)21-14-10(5)13(20)15-12(16-14)7-3-8(17)11(19)9(18)4-7/h3-4,17-19H,1-2H3,(H,15,16,20)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492125
PNG
(CHEMBL2397277)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(O)cc1
Show InChI InChI=1S/C14H12N2O2S/c1-7-8(2)19-14-11(7)13(18)15-12(16-14)9-3-5-10(17)6-4-9/h3-6,17H,1-2H3,(H,15,16,18)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484005
PNG
(CHEMBL1802032)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN1CCCCC1 |r|
Show InChI InChI=1S/C20H29NO4/c1-13-10-17(22)19(24)18(23)15-7-6-14(11-16(13)15)20(2,25)12-21-8-4-3-5-9-21/h10,14,25H,3-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,20?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484006
PNG
(CHEMBL1802247)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSc1ccccc1 |r|
Show InChI InChI=1S/C21H24O4S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-26-15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484012
PNG
(CHEMBL1802254)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)NCc1ccccc1 |r|
Show InChI InChI=1S/C21H25NO3/c1-13-10-19(23)21(25)20(24)17-9-8-16(11-18(13)17)14(2)22-12-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3,(H2,23,24,25)/t14?,16-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484011
PNG
(CHEMBL1802245)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNc1ccccc1 |r|
Show InChI InChI=1S/C21H25NO4/c1-13-10-18(23)20(25)19(24)16-9-8-14(11-17(13)16)21(2,26)12-22-15-6-4-3-5-7-15/h3-7,10,14,22,26H,8-9,11-12H2,1-2H3,(H2,23,24,25)/t14-,21?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484010
PNG
(CHEMBL1802244)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNCc1ccccc1F |r|
Show InChI InChI=1S/C22H26FNO4/c1-13-9-19(25)21(27)20(26)16-8-7-15(10-17(13)16)22(2,28)12-24-11-14-5-3-4-6-18(14)23/h3-6,9,15,24,28H,7-8,10-12H2,1-2H3,(H2,25,26,27)/t15-,22?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484007
PNG
(CHEMBL1802248)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCc1ccccc1 |r|
Show InChI InChI=1S/C22H26O4S/c1-14-10-19(23)21(25)20(24)17-9-8-16(11-18(14)17)22(2,26)13-27-12-15-6-4-3-5-7-15/h3-7,10,16,26H,8-9,11-13H2,1-2H3,(H2,23,24,25)/t16-,22?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492117
PNG
(CHEMBL2397278)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2OS/c1-7-8(2)22-14-11(7)13(21)19-12(20-14)9-3-5-10(6-4-9)15(16,17)18/h3-6H,1-2H3,(H,19,20,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484016
PNG
(CHEMBL1802250)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)C[S+]([O-])c1ccccc1 |r|
Show InChI InChI=1S/C21H24O5S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-27(26)15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?,27?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492119
PNG
(CHEMBL2397280)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O3S/c1-7-8(2)21-14-11(7)13(18)15-12(16-14)9-4-3-5-10(6-9)17(19)20/h3-6H,1-2H3,(H,15,16,18)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492100
PNG
(CHEMBL2397414)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)c(O)cc1O
Show InChI InChI=1S/C14H12N2O4S/c1-5-6(2)21-14-11(5)13(20)15-12(16-14)7-3-9(18)10(19)4-8(7)17/h3-4,17-19H,1-2H3,(H,15,16,20)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492136
PNG
(CHEMBL2397279)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H12N2O3S/c1-7-8(2)21-14-11(7)13(18)16-12(17-14)9-3-5-10(6-4-9)15(19)20/h3-6H,1-2H3,(H,19,20)(H,16,17,18)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492103
PNG
(CHEMBL2397406)
Show SMILES CCCc1c(C)sc2nc([nH]c(=O)c12)-c1cccc(O)c1O
Show InChI InChI=1S/C16H16N2O3S/c1-3-5-9-8(2)22-16-12(9)15(21)17-14(18-16)10-6-4-7-11(19)13(10)20/h4,6-7,19-20H,3,5H2,1-2H3,(H,17,18,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492102
PNG
(CHEMBL2397410)
Show SMILES Oc1ccc(O)c(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O3S/c20-9-6-7-12(21)11(8-9)15-18-16(22)14-10-4-2-1-3-5-13(10)23-17(14)19-15/h6-8,20-21H,1-5H2,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492127
PNG
(CHEMBL2397407)
Show SMILES Oc1cccc(c1O)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O3S/c20-11-7-4-6-10(14(11)21)15-18-16(22)13-9-5-2-1-3-8-12(9)23-17(13)19-15/h4,6-7,20-21H,1-3,5,8H2,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492108
PNG
(CHEMBL2397396)
Show SMILES OC(=O)c1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H16N2O3S/c21-16-14-12-4-2-1-3-5-13(12)24-17(14)20-15(19-16)10-6-8-11(9-7-10)18(22)23/h6-9H,1-5H2,(H,22,23)(H,19,20,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484013
PNG
(CHEMBL1802252)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(OC(C)=O)c(=O)c2OC(C)=O)C(C)(O)CO |r|
Show InChI InChI=1S/C19H24O7/c1-10-7-16(25-11(2)21)17(23)18(26-12(3)22)14-6-5-13(8-15(10)14)19(4,24)9-20/h7,13,20,24H,5-6,8-9H2,1-4H3/t13-,19?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484008
PNG
(CHEMBL1802033)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)Cn1ccnc1 |r|
Show InChI InChI=1S/C18H22N2O4/c1-11-7-15(21)17(23)16(22)13-4-3-12(8-14(11)13)18(2,24)9-20-6-5-19-10-20/h5-7,10,12,24H,3-4,8-9H2,1-2H3,(H2,21,22,23)/t12-,18?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...


J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492126
PNG
(CHEMBL2397412)
Show SMILES Oc1cc(O)cc(c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O3S/c20-10-6-9(7-11(21)8-10)15-18-16(22)14-12-4-2-1-3-5-13(12)23-17(14)19-15/h6-8,20-21H,1-5H2,(H,18,19,22)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50251076
PNG
(CHEMBL2397397)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C18H15F3N2OS/c19-18(20,21)11-8-6-10(7-9-11)15-22-16(24)14-12-4-2-1-3-5-13(12)25-17(14)23-15/h6-9H,1-5H2,(H,22,23,24)
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n/an/a 3.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50251011
PNG
(CHEMBL2397398)
Show SMILES Oc1ccc(cc1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O2S/c20-11-8-6-10(7-9-11)15-18-16(21)14-12-4-2-1-3-5-13(12)22-17(14)19-15/h6-9,20H,1-5H2,(H,18,19,21)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492109
PNG
(CHEMBL2397395)
Show SMILES O=c1[nH]c(nc2sc3CCCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C17H16N2OS/c20-16-14-12-9-5-2-6-10-13(12)21-17(14)19-15(18-16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,19,20)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492121
PNG
(CHEMBL2396662)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccccn1
Show InChI InChI=1S/C13H11N3OS/c1-7-8(2)18-13-10(7)12(17)15-11(16-13)9-5-3-4-6-14-9/h3-6H,1-2H3,(H,15,16,17)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492101
PNG
(CHEMBL2397411)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C14H12N2O3S/c1-6-7(2)20-14-11(6)13(19)15-12(16-14)8-3-9(17)5-10(18)4-8/h3-5,17-18H,1-2H3,(H,15,16,19)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492111
PNG
(CHEMBL2397290)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cccnc1
Show InChI InChI=1S/C13H11N3OS/c1-7-8(2)18-13-10(7)12(17)15-11(16-13)9-4-3-5-14-6-9/h3-6H,1-2H3,(H,15,16,17)
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n/an/a 8.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492116
PNG
(CHEMBL1673237)
Show SMILES COc1ccc(cc1)-c1nc2sc(C)c(C)c2c(=O)[nH]1
Show InChI InChI=1S/C15H14N2O2S/c1-8-9(2)20-15-12(8)14(18)16-13(17-15)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3,(H,16,17,18)
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n/an/a 9.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492133
PNG
(CHEMBL2397408)
Show SMILES Oc1ccc(c(O)c1)-c1nc2sc3CCCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H16N2O3S/c20-9-6-7-10(12(21)8-9)15-18-16(22)14-11-4-2-1-3-5-13(11)23-17(14)19-15/h6-8,20-21H,1-5H2,(H,18,19,22)
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n/an/a 9.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492124
PNG
(CHEMBL2397409)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1cc(O)ccc1O
Show InChI InChI=1S/C14H12N2O3S/c1-6-7(2)20-14-11(6)13(19)15-12(16-14)9-5-8(17)3-4-10(9)18/h3-5,17-18H,1-2H3,(H,15,16,19)
PDB
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n/an/a 9.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492118
PNG
(CHEMBL1673236)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C14H12N2OS/c1-8-9(2)18-14-11(8)13(17)15-12(16-14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,17)
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n/an/a 1.13E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492122
PNG
(CHEMBL2397284)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10ClN3O3S/c1-6-7(2)22-14-11(6)13(19)16-12(17-14)8-3-4-9(15)10(5-8)18(20)21/h3-5H,1-2H3,(H,16,17,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492130
PNG
(CHEMBL2397288)
Show SMILES COc1ccc(cc1OC)-c1nc2sc(C)c(C)c2c(=O)[nH]1
Show InChI InChI=1S/C16H16N2O3S/c1-8-9(2)22-16-13(8)15(19)17-14(18-16)10-5-6-11(20-3)12(7-10)21-4/h5-7H,1-4H3,(H,17,18,19)
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n/an/a 1.26E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492110
PNG
(CHEMBL2397394)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N3O4S/c1-5-6(2)20-12-9(5)11(16)13-10(14-12)7-3-4-8(19-7)15(17)18/h3-4H,1-2H3,(H,13,14,16)
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n/an/a 1.69E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labele...


J Med Chem 56: 5436-45 (2013)


Article DOI: 10.1021/jm400405z
BindingDB Entry DOI: 10.7270/Q2B27Z7S
More data for this
Ligand-Target Pair
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