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PubMed code 25638501

Compile data set for download or QSAR
Found 32 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)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 4.50E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 1.54E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 1.59E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 2.00E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.33E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.76E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.99E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063017
PNG
(CHEMBL3398085)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)9-10-24(20(23)27)12-14-5-2-3-8-17(14)28-13-18(25)22-16-7-4-6-15(21)11-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063003
PNG
(CHEMBL3398092)
Show SMILES Cn1c(=O)c(Cl)cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2N3O4/c1-24-19(27)15(22)11-25(20(24)28)10-13-6-2-5-9-17(13)29-12-18(26)23-16-8-4-3-7-14(16)21/h2-9,11H,10,12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063023
PNG
(CHEMBL3398090)
Show SMILES Cc1cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c(=O)n(C)c1=O
Show InChI InChI=1S/C21H20ClN3O4/c1-14-11-25(21(28)24(2)20(14)27)12-15-7-3-6-10-18(15)29-13-19(26)23-17-9-5-4-8-16(17)22/h3-11H,12-13H2,1-2H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063001
PNG
(CHEMBL3398091)
Show SMILES Cn1c(=O)c(F)cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H17ClFN3O4/c1-24-19(27)15(22)11-25(20(24)28)10-13-6-2-5-9-17(13)29-12-18(26)23-16-8-4-3-7-14(16)21/h2-9,11H,10,12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063020
PNG
(CHEMBL3398088)
Show SMILES CCCn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C22H22ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h3-11,13H,2,12,14-15H2,1H3,(H,24,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063019
PNG
(CHEMBL3398087)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2N3O4/c1-24-19(27)8-9-25(20(24)28)11-13-4-2-3-5-17(13)29-12-18(26)23-16-10-14(21)6-7-15(16)22/h2-10H,11-12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063022
PNG
(CHEMBL3398089)
Show SMILES Clc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(CC=C)c1=O
Show InChI InChI=1S/C22H20ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h2-11,13H,1,12,14-15H2,(H,24,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063014
PNG
(CHEMBL3398084)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-6-2-5-9-17(14)28-13-18(25)22-16-8-4-3-7-15(16)21/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063010
PNG
(CHEMBL3398082)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2)c1=O
Show InChI InChI=1S/C20H19N3O4/c1-22-19(25)11-12-23(20(22)26)13-15-7-5-6-10-17(15)27-14-18(24)21-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,24)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063018
PNG
(CHEMBL3398086)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-4-2-3-5-17(14)28-13-18(25)22-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063013
PNG
(CHEMBL3398083)
Show SMILES Cc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(C)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-15-7-3-5-9-17(15)22-19(25)14-28-18-10-6-4-8-16(18)13-24-12-11-20(26)23(2)21(24)27/h3-12H,13-14H2,1-2H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
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



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
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 1.15E+3n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063015
PNG
(CHEMBL3398102)
Show SMILES Cc1cc(Br)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3)c2=O)c1
Show InChI InChI=1S/C20H18BrN3O3/c1-14-9-15(11-16(21)10-14)12-24-19(26)7-8-23(20(24)27)13-18(25)22-17-5-3-2-4-6-17/h2-11H,12-13H2,1H3,(H,22,25)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063006
PNG
(CHEMBL3398095)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O3/c1-14-9-15(2)11-16(10-14)12-25-20(27)7-8-24(21(25)28)13-19(26)23-18-6-4-3-5-17(18)22/h3-11H,12-13H2,1-2H3,(H,23,26)
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n/an/a 1.57E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063016
PNG
(CHEMBL3398103)
Show SMILES Clc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cccc3ccccc23)c1=O
Show InChI InChI=1S/C23H18ClN3O3/c24-19-10-3-4-11-20(19)25-21(28)15-26-13-12-22(29)27(23(26)30)14-17-8-5-7-16-6-1-2-9-18(16)17/h1-13H,14-15H2,(H,25,28)
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n/an/a 4.45E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063009
PNG
(CHEMBL3398098)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O3/c1-14-9-15(2)11-16(10-14)12-25-20(27)7-8-24(21(25)28)13-19(26)23-18-5-3-17(22)4-6-18/h3-11H,12-13H2,1-2H3,(H,23,26)
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n/an/a 6.29E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063005
PNG
(CHEMBL3398094)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3C)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-15-10-16(2)12-18(11-15)13-25-21(27)8-9-24(22(25)28)14-20(26)23-19-7-5-4-6-17(19)3/h4-12H,13-14H2,1-3H3,(H,23,26)
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n/an/a 6.88E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063004
PNG
(CHEMBL3398093)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3)c2=O)c1
Show InChI InChI=1S/C21H21N3O3/c1-15-10-16(2)12-17(11-15)13-24-20(26)8-9-23(21(24)27)14-19(25)22-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,22,25)
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n/an/a 7.93E+4n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063008
PNG
(CHEMBL3398097)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3)c2=O)c1
Show InChI InChI=1S/C21H20ClN3O3/c1-14-8-15(2)10-16(9-14)12-25-20(27)6-7-24(21(25)28)13-19(26)23-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,26)
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n/an/a 1.14E+5n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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n/an/a 1.49E+5n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 ribonuclease H pre-incubated with compound before enzyme addition using using RNA/DNA heteroduplex and measured after 60 mins by p...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063012
PNG
(CHEMBL3398100)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)NCc3ccccc3)c2=O)c1
Show InChI InChI=1S/C22H23N3O3/c1-16-10-17(2)12-19(11-16)14-25-21(27)8-9-24(22(25)28)15-20(26)23-13-18-6-4-3-5-7-18/h3-12H,13-15H2,1-2H3,(H,23,26)
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n/an/a 1.94E+5n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063007
PNG
(CHEMBL3398096)
Show SMILES COc1ccccc1NC(=O)Cn1ccc(=O)n(Cc2cc(C)cc(C)c2)c1=O
Show InChI InChI=1S/C22H23N3O4/c1-15-10-16(2)12-17(11-15)13-25-21(27)8-9-24(22(25)28)14-20(26)23-18-6-4-5-7-19(18)29-3/h4-12H,13-14H2,1-3H3,(H,23,26)
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n/an/a 2.11E+5n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063011
PNG
(CHEMBL3398099)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(C)c3C)c2=O)c1
Show InChI InChI=1S/C23H25N3O3/c1-15-10-16(2)12-19(11-15)13-26-22(28)8-9-25(23(26)29)14-21(27)24-20-7-5-6-17(3)18(20)4/h5-12H,13-14H2,1-4H3,(H,24,27)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%