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PubMed code 26385446

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498654
PNG
(CHEMBL3618319)
Show SMILES Cc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1C
Show InChI InChI=1S/C20H19N5/c1-14-3-4-17(11-15(14)2)13-23-19-9-10-22-20(25-19)24-18-7-5-16(12-21)6-8-18/h3-11H,13H2,1-2H3,(H2,22,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(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 11n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498642
PNG
(CHEMBL3618312)
Show SMILES Cc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C19H17N5/c1-14-2-4-16(5-3-14)13-22-18-10-11-21-19(24-18)23-17-8-6-15(12-20)7-9-17/h2-11H,13H2,1H3,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498641
PNG
(CHEMBL3618310)
Show SMILES Fc1cccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C18H14FN5/c19-15-3-1-2-14(10-15)12-22-17-8-9-21-18(24-17)23-16-6-4-13(11-20)5-7-16/h1-10H,12H2,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498650
PNG
(CHEMBL3618309)
Show SMILES Fc1ccccc1CNc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14FN5/c19-16-4-2-1-3-14(16)12-22-17-9-10-21-18(24-17)23-15-7-5-13(11-20)6-8-15/h1-10H,12H2,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498644
PNG
(CHEMBL3618314)
Show SMILES COc1cccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C19H17N5O/c1-25-17-4-2-3-15(11-17)13-22-18-9-10-21-19(24-18)23-16-7-5-14(12-20)6-8-16/h2-11H,13H2,1H3,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498639
PNG
(CHEMBL3618304)
Show SMILES Clc1cccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C18H14ClN5/c19-15-3-1-2-14(10-15)12-22-17-8-9-21-18(24-17)23-16-6-4-13(11-20)5-7-16/h1-10H,12H2,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498653
PNG
(CHEMBL3618302)
Show SMILES N#Cc1ccc(Nc2nccc(NCc3ccccc3)n2)cc1
Show InChI InChI=1S/C18H15N5/c19-12-14-6-8-16(9-7-14)22-18-20-11-10-17(23-18)21-13-15-4-2-1-3-5-15/h1-11H,13H2,(H2,20,21,22,23)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498638
PNG
(CHEMBL3618303)
Show SMILES Clc1ccccc1CNc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14ClN5/c19-16-4-2-1-3-14(16)12-22-17-9-10-21-18(24-17)23-15-7-5-13(11-20)6-8-15/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498652
PNG
(CHEMBL3618307)
Show SMILES Brc1cccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)12-22-17-8-9-21-18(24-17)23-16-6-4-13(11-20)5-7-16/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498640
PNG
(CHEMBL3618308)
Show SMILES Brc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C18H14BrN5/c19-15-5-1-14(2-6-15)12-22-17-9-10-21-18(24-17)23-16-7-3-13(11-20)4-8-16/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 29n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498651
PNG
(CHEMBL3618305)
Show SMILES Clc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C18H14ClN5/c19-15-5-1-14(2-6-15)12-22-17-9-10-21-18(24-17)23-16-7-3-13(11-20)4-8-16/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 48n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498646
PNG
(CHEMBL3618320)
Show SMILES Fc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1
Show InChI InChI=1S/C18H13F2N5/c19-14-4-3-13(16(20)9-14)11-23-17-7-8-22-18(25-17)24-15-5-1-12(10-21)2-6-15/h1-9H,11H2,(H2,22,23,24,25)
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n/an/a 56n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498645
PNG
(CHEMBL3618318)
Show SMILES FC(F)(F)c1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C19H14F3N5/c20-19(21,22)15-5-1-14(2-6-15)12-25-17-9-10-24-18(27-17)26-16-7-3-13(11-23)4-8-16/h1-10H,12H2,(H2,24,25,26,27)
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n/an/a 70n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498647
PNG
(CHEMBL3618306)
Show SMILES Brc1ccccc1CNc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C18H14BrN5/c19-16-4-2-1-3-14(16)12-22-17-9-10-21-18(24-17)23-15-7-5-13(11-20)6-8-15/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 71n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498636
PNG
(CHEMBL3618315)
Show SMILES COc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C19H17N5O/c1-25-17-8-4-15(5-9-17)13-22-18-10-11-21-19(24-18)23-16-6-2-14(12-20)3-7-16/h2-11H,13H2,1H3,(H2,21,22,23,24)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498637
PNG
(CHEMBL3618317)
Show SMILES FC(F)(F)c1cccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C19H14F3N5/c20-19(21,22)15-3-1-2-14(10-15)12-25-17-8-9-24-18(27-17)26-16-6-4-13(11-23)5-7-16/h1-10H,12H2,(H2,24,25,26,27)
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Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498648
PNG
(CHEMBL3618311)
Show SMILES Fc1ccc(CNc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C18H14FN5/c19-15-5-1-14(2-6-15)12-22-17-9-10-21-18(24-17)23-16-7-3-13(11-20)4-8-16/h1-10H,12H2,(H2,21,22,23,24)
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n/an/a 382n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498643
PNG
(CHEMBL3618313)
Show SMILES COc1ccccc1CNc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H17N5O/c1-25-17-5-3-2-4-15(17)13-22-18-10-11-21-19(24-18)23-16-8-6-14(12-20)7-9-16/h2-11H,13H2,1H3,(H2,21,22,23,24)
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n/an/a 936n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50498649
PNG
(CHEMBL3618316)
Show SMILES FC(F)(F)c1ccccc1CNc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C19H14F3N5/c20-19(21,22)16-4-2-1-3-14(16)12-25-17-9-10-24-18(27-17)26-15-7-5-13(11-23)6-8-15/h1-10H,12H2,(H2,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analy...


Bioorg Med Chem 23: 6587-93 (2015)


Article DOI: 10.1016/j.bmc.2015.09.020
BindingDB Entry DOI: 10.7270/Q2ZS30JJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%