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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50007358   
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)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

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n/an/a 7n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
PDB
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508783
PNG
(CHEMBL3325515)
Show SMILES CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(OC)c1ccccc1
Show InChI InChI=1S/C19H18ClNO3/c1-3-24-19(22)17-16(14-11-13(20)9-10-15(14)21-17)18(23-2)12-7-5-4-6-8-12/h4-11,18,21H,3H2,1-2H3
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508787
PNG
(CHEMBL3325519)
Show SMILES CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(OC)c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H22ClNO3/c1-5-26-21(24)19-18(16-11-15(22)6-7-17(16)23-19)20(25-4)14-9-12(2)8-13(3)10-14/h6-11,20,23H,5H2,1-4H3
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508782
PNG
(CHEMBL3774725)
Show SMILES CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(SC)c1ccccc1
Show InChI InChI=1S/C19H18ClNO2S/c1-3-23-19(22)17-16(14-11-13(20)9-10-15(14)21-17)18(24-2)12-7-5-4-6-8-12/h4-11,18,21H,3H2,1-2H3
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508784
PNG
(CHEMBL4543868)
Show SMILES CCCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C17H14ClN3O2/c1-2-6-21-16-14(20-17(21)22)4-3-5-15(16)23-13-8-11(10-19)7-12(18)9-13/h3-5,7-9H,2,6H2,1H3,(H,20,22)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508789
PNG
(CHEMBL3775346)
Show SMILES CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(SC)c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H22ClNO2S/c1-5-25-21(24)19-18(16-11-15(22)6-7-17(16)23-19)20(26-4)14-9-12(2)8-13(3)10-14/h6-11,20,23H,5H2,1-4H3
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508792
PNG
(CHEMBL4579182)
Show SMILES CCn1c2c(Oc3cc(cc(c3)C#N)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C17H12N4O2/c1-2-21-16-14(20-17(21)22)4-3-5-15(16)23-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,22)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
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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PubMed
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508781
PNG
(CHEMBL4577391)
Show SMILES CCC(c1ccccc1)n1c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H15ClN2O/c1-2-14(11-6-4-3-5-7-11)19-15-10-12(17)8-9-13(15)18-16(19)20/h3-10,14H,2H2,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508791
PNG
(CHEMBL4439382)
Show SMILES CCn1c2c(Oc3cc(C)cc(C)c3)cccc2[nH]c1=O
Show InChI InChI=1S/C17H18N2O2/c1-4-19-16-14(18-17(19)20)6-5-7-15(16)21-13-9-11(2)8-12(3)10-13/h5-10H,4H2,1-3H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508779
PNG
(CHEMBL4450185)
Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508776
PNG
(CHEMBL4470380)
Show SMILES Cn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H10ClN3O2/c1-19-14-12(18-15(19)20)3-2-4-13(14)21-11-6-9(8-17)5-10(16)7-11/h2-7H,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508777
PNG
(CHEMBL4438953)
Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508786
PNG
(CHEMBL4441079)
Show SMILES CCn1c2c(Oc3cc(ccn3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H12N4O2/c1-2-19-14-11(18-15(19)20)4-3-5-12(14)21-13-8-10(9-16)6-7-17-13/h3-8H,2H2,1H3,(H,18,20)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508788
PNG
(CHEMBL4519998)
Show SMILES CCn1c2c(Oc3cccc4ccccc34)cccc2[nH]c1=O
Show InChI InChI=1S/C19H16N2O2/c1-2-21-18-15(20-19(21)22)10-6-12-17(18)23-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3,(H,20,22)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508778
PNG
(CHEMBL4450262)
Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12
Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)
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Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508780
PNG
(CHEMBL4520231)
Show SMILES CCn1c2c(Oc3ccccc3)cccc2[nH]c1=O
Show InChI InChI=1S/C15H14N2O2/c1-2-17-14-12(16-15(17)18)9-6-10-13(14)19-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.88E+3n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508790
PNG
(CHEMBL4584925)
Show SMILES CCn1c2c(Oc3ccnc(c3)C#N)cccc2[nH]c1=O
Show InChI InChI=1S/C15H12N4O2/c1-2-19-14-12(18-15(19)20)4-3-5-13(14)21-11-6-7-17-10(8-11)9-16/h3-8H,2H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50508785
PNG
(CHEMBL4459834)
Show SMILES CCn1c2c(Oc3ccnc(Cl)c3)cccc2[nH]c1=O
Show InChI InChI=1S/C14H12ClN3O2/c1-2-18-13-10(17-14(18)19)4-3-5-11(13)20-9-6-7-16-12(15)8-9/h3-8H,2H2,1H3,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.41E+4n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...


ACS Med Chem Lett 10: 196-202 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00549
BindingDB Entry DOI: 10.7270/Q2CJ8HS3
More data for this
Ligand-Target Pair