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PubMed code 25537532

Compile data set for download or QSAR
Found 13 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)
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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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062568
PNG
(CHEMBL3397653)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-23-20(24-15-8-6-14(10-22)7-9-15)26-19(13)28-12-18(27)25-17-5-3-2-4-16(17)21/h2-9,11H,12H2,1H3,(H,25,27)(H,23,24,26)
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PubMed
n/an/a 46n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062607
PNG
(CHEMBL3397650)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1ccccc1F
Show InChI InChI=1S/C20H16FN5O2/c1-13-11-23-20(24-15-8-6-14(10-22)7-9-15)26-19(13)28-12-18(27)25-17-5-3-2-4-16(17)21/h2-9,11H,12H2,1H3,(H,25,27)(H,23,24,26)
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PubMed
n/an/a 83n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062602
PNG
(CHEMBL3397637)
Show SMILES Clc1cccc(NC(=O)COc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Show InChI InChI=1S/C19H14ClN5O2/c20-14-2-1-3-16(10-14)23-17(26)12-27-18-8-9-22-19(25-18)24-15-6-4-13(11-21)5-7-15/h1-10H,12H2,(H,23,26)(H,22,24,25)
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n/an/a 120n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062567
PNG
(CHEMBL3397652)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C20H16ClN5O2/c1-13-11-23-20(25-16-7-5-14(10-22)6-8-16)26-19(13)28-12-18(27)24-17-4-2-3-15(21)9-17/h2-9,11H,12H2,1H3,(H,24,27)(H,23,25,26)
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PubMed
n/an/a 160n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062605
PNG
(CHEMBL3397645)
Show SMILES Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H16ClN5O2/c1-13-9-19(28-12-18(27)24-17-4-2-3-15(21)10-17)26-20(23-13)25-16-7-5-14(11-22)6-8-16/h2-10H,12H2,1H3,(H,24,27)(H,23,25,26)
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PubMed
n/an/a 540n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
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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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062571
PNG
(CHEMBL3397657)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1ccc(cc1F)C#N
Show InChI InChI=1S/C21H15FN6O2/c1-13-11-25-21(26-16-5-2-14(9-23)3-6-16)28-20(13)30-12-19(29)27-18-7-4-15(10-24)8-17(18)22/h2-8,11H,12H2,1H3,(H,27,29)(H,25,26,28)
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062569
PNG
(CHEMBL3397656)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N6O2/c1-14-12-24-21(26-18-8-4-16(11-23)5-9-18)27-20(14)29-13-19(28)25-17-6-2-15(10-22)3-7-17/h2-9,12H,13H2,1H3,(H,25,28)(H,24,26,27)
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PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062606
PNG
(CHEMBL3397649)
Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1OCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O2/c1-13-11-23-20(25-17-6-2-14(10-22)3-7-17)26-19(13)28-12-18(27)24-16-8-4-15(21)5-9-16/h2-9,11H,12H2,1H3,(H,24,27)(H,23,25,26)
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PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062603
PNG
(CHEMBL3397639)
Show SMILES O=C(COc1ccnc(Nc2ccc(cc2)C#N)n1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C20H14N6O2/c21-11-14-1-5-16(6-2-14)24-18(27)13-28-19-9-10-23-20(26-19)25-17-7-3-15(12-22)4-8-17/h1-10H,13H2,(H,24,27)(H,23,25,26)
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PubMed
n/an/a 2.39E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062604
PNG
(CHEMBL3397641)
Show SMILES COc1ccc(NC(=O)COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C20H17N5O3/c1-27-17-8-6-15(7-9-17)23-18(26)13-28-19-10-11-22-20(25-19)24-16-4-2-14(12-21)3-5-16/h2-11H,13H2,1H3,(H,23,26)(H,22,24,25)
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PubMed
n/an/a 2.46E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50062601
PNG
(CHEMBL3397636)
Show SMILES Clc1ccc(NC(=O)COc2ccnc(Nc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C19H14ClN5O2/c20-14-3-7-15(8-4-14)23-17(26)12-27-18-9-10-22-19(25-18)24-16-5-1-13(11-21)2-6-16/h1-10H,12H2,(H,23,26)(H,22,24,25)
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PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry


Bioorg Med Chem 23: 624-31 (2015)


Article DOI: 10.1016/j.bmc.2014.11.032
BindingDB Entry DOI: 10.7270/Q2FF3V12
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%