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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'temburnikar' and Initial = 'k'   
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)
BDBM50484340
PNG
(CHEMBL1835512)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C19H13BrCl2N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(9-12)18(26)11-7-13(21)10-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)
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160n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484329
PNG
(CHEMBL1835505)
Show SMILES Cc1cccc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C20H17ClN2O4/c1-13-3-2-4-14(11-13)19(25)16-12-15(21)5-6-17(16)27-10-9-23-8-7-18(24)22-20(23)26/h2-8,11-12H,9-10H2,1H3,(H,22,24,26)
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210n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484339
PNG
(CHEMBL1835509)
Show SMILES Fc1cc(F)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C19H13ClF2N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(9-12)18(26)11-7-13(21)10-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)
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360n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484334
PNG
(CHEMBL1835504)
Show SMILES Brc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H15BrN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)
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450n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484342
PNG
(CHEMBL1835511)
Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C19H13Br2ClN2O4/c20-12-7-11(8-13(21)9-12)18(26)15-10-14(22)1-2-16(15)28-6-5-24-4-3-17(25)23-19(24)27/h1-4,7-10H,5-6H2,(H,23,25,27)
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470n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484330
PNG
(CHEMBL1835507)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C21H19ClN2O4/c1-13-9-14(2)11-15(10-13)20(26)17-12-16(22)3-4-18(17)28-8-7-24-6-5-19(25)23-21(24)27/h3-6,9-12H,7-8H2,1-2H3,(H,23,25,27)
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520n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484328
PNG
(CHEMBL1835503)
Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H15ClN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)
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650n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484343
PNG
(CHEMBL1835510)
Show SMILES Clc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13Cl3N2O4/c20-12-1-2-16(28-6-5-24-4-3-17(25)23-19(24)27)15(10-12)18(26)11-7-13(21)9-14(22)8-11/h1-4,7-10H,5-6H2,(H,23,25,27)
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820n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484332
PNG
(CHEMBL1835514)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-13-8-14(2)10-16(9-13)20(26)18-11-17(23)4-5-19(18)29-7-6-25-12-15(3)21(27)24-22(25)28/h4-5,8-12H,6-7H2,1-3H3,(H,24,27,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484331
PNG
(CHEMBL1835508)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Br)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C21H19BrN2O4/c1-13-9-14(2)11-15(10-13)20(26)17-12-16(22)3-4-18(17)28-8-7-24-6-5-19(25)23-21(24)27/h3-6,9-12H,7-8H2,1-2H3,(H,23,25,27)
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1.70E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484324
PNG
(CHEMBL1835515)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCn1c(C)cc(=O)[nH]c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-13-8-14(2)10-16(9-13)21(27)18-12-17(23)4-5-19(18)29-7-6-25-15(3)11-20(26)24-22(25)28/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,28)
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1.70E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484337
PNG
(CHEMBL1835501)
Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H18N2O4/c1-14-7-8-17(16(13-14)19(24)15-5-3-2-4-6-15)26-12-11-22-10-9-18(23)21-20(22)25/h2-10,13H,11-12H2,1H3,(H,21,23,25)
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1.70E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484338
PNG
(CHEMBL1835506)
Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C22H22N2O4/c1-14-4-5-19(28-9-8-24-7-6-20(25)23-22(24)27)18(13-14)21(26)17-11-15(2)10-16(3)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,23,25,27)
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2.00E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484325
PNG
(CHEMBL1835499)
Show SMILES Cc1cc(C)cc(Cc2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1
Show InChI InChI=1S/C21H21ClN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)
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2.10E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484327
PNG
(CHEMBL1835502)
Show SMILES Fc1ccc(OCCn2ccc(=O)[nH]c2=O)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H15FN2O4/c20-14-6-7-16(15(12-14)18(24)13-4-2-1-3-5-13)26-11-10-22-9-8-17(23)21-19(22)25/h1-9,12H,10-11H2,(H,21,23,25)
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2.60E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484336
PNG
(CHEMBL1835498)
Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2cc(C)cc(C)c2)c1
Show InChI InChI=1S/C22H24N2O3/c1-15-4-5-20(27-9-8-24-7-6-21(25)23-22(24)26)19(13-15)14-18-11-16(2)10-17(3)12-18/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,25,26)
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2.70E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484326
PNG
(CHEMBL1835500)
Show SMILES Cc1cc(C)cc(Cc2cc(Br)ccc2OCCn2ccc(=O)[nH]c2=O)c1
Show InChI InChI=1S/C21H21BrN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)
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3.10E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484341
PNG
(CHEMBL1835497)
Show SMILES Cc1cccc(Cc2cc(C)ccc2OCCn2ccc(=O)[nH]c2=O)c1
Show InChI InChI=1S/C21H22N2O3/c1-15-4-3-5-17(12-15)14-18-13-16(2)6-7-19(18)26-11-10-23-9-8-20(24)22-21(23)25/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24,25)
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6.30E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484323
PNG
(CHEMBL1835496)
Show SMILES Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C20H20N2O3/c1-15-7-8-18(17(13-15)14-16-5-3-2-4-6-16)25-12-11-22-10-9-19(23)21-20(22)24/h2-10,13H,11-12,14H2,1H3,(H,21,23,24)
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1.80E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484335
PNG
(CHEMBL1835513)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-14-10-15(2)12-16(11-14)21(27)18-13-17(23)4-5-19(18)29-9-3-7-25-8-6-20(26)24-22(25)28/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,26,28)
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>2.42E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50484333
PNG
(CHEMBL1835516)
Show SMILES Cc1cc(C)cc(c1)C(O)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C21H21ClN2O4/c1-13-9-14(2)11-15(10-13)20(26)17-12-16(22)3-4-18(17)28-8-7-24-6-5-19(25)23-21(24)27/h3-6,9-12,20,26H,7-8H2,1-2H3,(H,23,25,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.49E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by ...


Bioorg Med Chem 19: 5794-802 (2011)


Article DOI: 10.1016/j.bmc.2011.08.025
BindingDB Entry DOI: 10.7270/Q2057JRG
More data for this
Ligand-Target Pair