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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'sinkkonen' 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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50445689
PNG
(CHEMBL3104225)
Show SMILES CCn1c(c(C)c2cc(OC)ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H21NO2/c1-5-20-18-11-10-16(22-4)12-17(18)13(2)19(20)14-6-8-15(21-3)9-7-14/h6-12H,5H2,1-4H3
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n/an/a 700n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]-kainate from GluK2 receptor (unknown origin)


Bioorg Med Chem 22: 787-95 (2014)


Article DOI: 10.1016/j.bmc.2013.12.013
BindingDB Entry DOI: 10.7270/Q2C82BS0
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 920n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50445686
PNG
(CHEMBL3104264)
Show SMILES CCn1c(c(C)c2cc(OC)ccc12)-c1ccccc1
Show InChI InChI=1S/C18H19NO/c1-4-19-17-11-10-15(20-3)12-16(17)13(2)18(19)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]-kainate from GluK2 receptor (unknown origin)


Bioorg Med Chem 22: 787-95 (2014)


Article DOI: 10.1016/j.bmc.2013.12.013
BindingDB Entry DOI: 10.7270/Q2C82BS0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50445688
PNG
(CHEMBL3104262)
Show SMILES CCn1c(cc2cc(OC)ccc12)-c1ccccc1
Show InChI InChI=1S/C17H17NO/c1-3-18-16-10-9-15(19-2)11-14(16)12-17(18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]-kainate from GluK2 receptor (unknown origin)


Bioorg Med Chem 22: 787-95 (2014)


Article DOI: 10.1016/j.bmc.2013.12.013
BindingDB Entry DOI: 10.7270/Q2C82BS0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50445687
PNG
(CHEMBL3104263)
Show SMILES CCn1c(c(C)c2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO/c1-4-19-17-8-6-5-7-16(17)13(2)18(19)14-9-11-15(20-3)12-10-14/h5-12H,4H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]-kainate from GluK2 receptor (unknown origin)


Bioorg Med Chem 22: 787-95 (2014)


Article DOI: 10.1016/j.bmc.2013.12.013
BindingDB Entry DOI: 10.7270/Q2C82BS0
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161820
PNG
(CHEMBL3785590)
Show SMILES CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C18H22FN3O3/c1-2-25-17(23)16-15(13-10-11(19)8-9-14(13)21-16)22-18(24)20-12-6-4-3-5-7-12/h8-10,12,21H,2-7H2,1H3,(H2,20,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161827
PNG
(CHEMBL3785762)
Show SMILES Cc1ccc(Nc2nc(O)nc(Nc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C17H17N5O/c1-11-3-7-13(8-4-11)18-15-20-16(22-17(23)21-15)19-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,18,19,20,21,22,23)
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n/an/a 5.51E+4n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161824
PNG
(CHEMBL3786003)
Show SMILES Cc1ccc(Nc2nc(NCC3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C22H26N6O/c1-15-5-9-17(10-6-15)24-21-26-20(23-14-19-4-3-13-29-19)27-22(28-21)25-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27,28)
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n/an/a 1.06E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161826
PNG
(CHEMBL3785409)
Show SMILES Cc1ccc(Nc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C17H18N6/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,18,19,20,21,22,23)
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n/an/a 1.16E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161821
PNG
(CHEMBL3787153)
Show SMILES OCCN\C=C1\C(=O)NC(=S)N(CCC2=CCCCC2)C1=O |t:14|
Show InChI InChI=1S/C15H21N3O3S/c19-9-7-16-10-12-13(20)17-15(22)18(14(12)21)8-6-11-4-2-1-3-5-11/h4,10,16,19H,1-3,5-9H2,(H,17,20,22)/b12-10-
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161822
PNG
(CHEMBL3787152)
Show SMILES CNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C18H20N6/c1-12-4-8-14(9-5-12)20-17-22-16(19-3)23-18(24-17)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H3,19,20,21,22,23,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161822
PNG
(CHEMBL3787152)
Show SMILES CNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C18H20N6/c1-12-4-8-14(9-5-12)20-17-22-16(19-3)23-18(24-17)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H3,19,20,21,22,23,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161823
PNG
(CHEMBL3785996)
Show SMILES CN(Cc1ccc(F)cc1)Cc1nc(N)nc(Nc2ccccc2C)n1
Show InChI InChI=1S/C19H21FN6/c1-13-5-3-4-6-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
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University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161819
PNG
(CHEMBL3785957)
Show SMILES COc1ccc(Nc2nc(NC3CCCC3)nc(Nc3ccc(OC)cc3)n2)cc1
Show InChI InChI=1S/C22H26N6O2/c1-29-18-11-7-16(8-12-18)24-21-26-20(23-15-5-3-4-6-15)27-22(28-21)25-17-9-13-19(30-2)14-10-17/h7-15H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161818
PNG
(CHEMBL3785261)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NC[C@@H]3CCCO3)cc2c1 |r|
Show InChI InChI=1S/C20H27N3O3S/c1-14-5-6-18-15(10-14)11-16(19(25)22-18)13-23(7-3-8-24)20(27)21-12-17-4-2-9-26-17/h5-6,10-11,17,24H,2-4,7-9,12-13H2,1H3,(H,21,27)(H,22,25)/t17-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161817
PNG
(CHEMBL3785111)
Show SMILES Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)NCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C18H20N2O7/c1-9-11-3-5-13(21)10(2)17(11)27-18(26)12(9)4-6-14(22)19-7-15(23)20-8-16(24)25/h3,5,21H,4,6-8H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161816
PNG
(CHEMBL3786054)
Show SMILES CCCn1c(NCCN(CC)CC)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C15H26N6O2/c1-5-9-21-11-12(19(4)15(23)18-13(11)22)17-14(21)16-8-10-20(6-2)7-3/h5-10H2,1-4H3,(H,16,17)(H,18,22,23)
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University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161815
PNG
(CHEMBL3786482)
Show SMILES Nc1nc(COC(=O)c2c[nH]c3ccccc23)nc(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C20H16FN5O2/c21-13-7-5-12(6-8-13)9-17-24-18(26-20(22)25-17)11-28-19(27)15-10-23-16-4-2-1-3-14(15)16/h1-8,10,23H,9,11H2,(H2,22,24,25,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161814
PNG
(CHEMBL3786457)
Show SMILES Cc1ccccc1Nc1nc(Cn2ccc(cc2=O)C(F)(F)F)nc(=N)[nH]1
Show InChI InChI=1S/C17H15F3N6O/c1-10-4-2-3-5-12(10)22-16-24-13(23-15(21)25-16)9-26-7-6-11(8-14(26)27)17(18,19)20/h2-8H,9H2,1H3,(H3,21,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161813
PNG
(CHEMBL3787555)
Show SMILES Cc1ccc(Nc2nc(COc3ccc(Cl)cc3)nc(=N)[nH]2)cc1
Show InChI InChI=1S/C17H16ClN5O/c1-11-2-6-13(7-3-11)20-17-22-15(21-16(19)23-17)10-24-14-8-4-12(18)5-9-14/h2-9H,10H2,1H3,(H3,19,20,21,22,23)
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University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161812
PNG
(CHEMBL3786036)
Show SMILES C(Nc1nc2c(NCc3ccco3)nc(NCc3ccco3)nc2[nH]1)c1ccco1
Show InChI InChI=1S/C20H19N7O3/c1-4-13(28-7-1)10-21-17-16-18(26-19(24-16)22-11-14-5-2-8-29-14)27-20(25-17)23-12-15-6-3-9-30-15/h1-9H,10-12H2,(H4,21,22,23,24,25,26,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161810
PNG
(CHEMBL3787594)
Show SMILES Nc1c(NCCO)cc(Nc2ccccc2)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C22H19N3O3/c23-20-17(24-10-11-26)12-16(25-13-6-2-1-3-7-13)18-19(20)22(28)15-9-5-4-8-14(15)21(18)27/h1-9,12,24-26H,10-11,23H2
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50161811
PNG
(CHEMBL3785615)
Show SMILES Cc1ccc(Nc2nc(N)nc(COC(=O)c3cnc4ccccc4n3)n2)cc1
Show InChI InChI=1S/C20H17N7O2/c1-12-6-8-13(9-7-12)23-20-26-17(25-19(21)27-20)11-29-18(28)16-10-22-14-4-2-3-5-15(14)24-16/h2-10H,11H2,1H3,(H3,21,23,25,26,27)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by inc...


Bioorg Med Chem 24: 2519-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.018
BindingDB Entry DOI: 10.7270/Q2NC632Q
More data for this
Ligand-Target Pair