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Found 12 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50103642'   
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 protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV1 isolate R8 reverse transcriptase K103N mutant after 90 mins by electrochemiluminescence analysis


Antimicrob Agents Chemother 53: 2424-31 (2009)


Article DOI: 10.1128/AAC.01559-08
BindingDB Entry DOI: 10.7270/Q20K2CD5
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate


J Med Chem 55: 6634-8 (2012)


Article DOI: 10.1021/jm300477h
BindingDB Entry DOI: 10.7270/Q24T6N7D
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting


Eur J Med Chem 80: 101-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.027
BindingDB Entry DOI: 10.7270/Q2VM4G8G
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay


Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting


Eur J Med Chem 80: 101-11 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.027
BindingDB Entry DOI: 10.7270/Q2VM4G8G
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate


J Med Chem 55: 6634-8 (2012)


Article DOI: 10.1021/jm300477h
BindingDB Entry DOI: 10.7270/Q24T6N7D
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 89n/an/an/an/an/an/a



Shandong University



Assay Description
The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an...


Chem Biol Drug Des 86: 333-43 (2015)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2XP73PR
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 129n/an/an/an/an/an/a



McGill University AIDS Centre

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent DNA polymerase activity of wild-type Human immunodeficiency virus 1 subtype B reverse transcriptase G190A mutant by filte...


Antimicrob Agents Chemother 53: 4667-72 (2009)


Article DOI: 10.1128/AAC.00800-09
BindingDB Entry DOI: 10.7270/Q2FN191R
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 191n/an/an/an/an/an/a



McGill University AIDS Centre

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 subtype B reverse transcriptase G190A mutant by filter-based filtration assay


Antimicrob Agents Chemother 53: 4667-72 (2009)


Article DOI: 10.1128/AAC.00800-09
BindingDB Entry DOI: 10.7270/Q2FN191R
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 696n/an/an/an/an/an/a



Institute-Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 subtype B reverse transcriptase M230L mutant by filter-based filtration assay


Antimicrob Agents Chemother 54: 2401-8 (2010)


Article DOI: 10.1128/AAC.01795-09
BindingDB Entry DOI: 10.7270/Q26D5WT1
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Institute-Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent DNA polymerase activity of HIV1 subtype B reverse transcriptase M230L mutant by gel-based primer extension assay


Antimicrob Agents Chemother 54: 2401-8 (2010)


Article DOI: 10.1128/AAC.01795-09
BindingDB Entry DOI: 10.7270/Q26D5WT1
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/an/an/a 5n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV RT K103N/Y181C mutant by cell based assay


Eur J Med Chem 65: 134-43 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.052
BindingDB Entry DOI: 10.7270/Q2736TTS
More data for this
Ligand-Target Pair