Found 51 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM2483' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article) |
Bioorg Med Chem Lett 11: 2799-802 (2001)
BindingDB Entry DOI: 10.7270/Q2J103P4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity towards L100I mutant HIV-1 reverse transcriptase (as per ref 10 in the article) |
Bioorg Med Chem Lett 11: 2799-802 (2001)
BindingDB Entry DOI: 10.7270/Q2J103P4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 6 in the article) |
Bioorg Med Chem Lett 11: 2799-802 (2001)
BindingDB Entry DOI: 10.7270/Q2J103P4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 wild-type RT |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001 |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L |
J Med Chem 44: 305-15 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1DD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of wild type HIV-1 NL4-3 reverse transcriptase using random mRNA as template and GADPH as primer measured at 42 degreeC for 5 mins, 95 deg... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113498 BindingDB Entry DOI: 10.7270/Q2XW4PMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV-1BH10 reverse transcriptase expressed in Escherichia coli assessed as polymerization by real time FRET assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111900 BindingDB Entry DOI: 10.7270/Q2D79G2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against wild-type reverse transcriptase of HIV-1 |
J Med Chem 47: 1175-82 (2004)
Article DOI: 10.1021/jm030255y BindingDB Entry DOI: 10.7270/Q2TX3G3N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
NIH
Curated by ChEMBL
| Assay Description Inhibition of wild type HIV1 reverse transcriptase in 293T cells |
Bioorg Med Chem Lett 16: 3034-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.049 BindingDB Entry DOI: 10.7270/Q2DN45VP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008 BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
NIH
Curated by ChEMBL
| Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant in 293T cells |
Bioorg Med Chem Lett 16: 3034-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.049 BindingDB Entry DOI: 10.7270/Q2DN45VP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into wild type RT measured after 1 hr by ELISA |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113204 BindingDB Entry DOI: 10.7270/Q2JM2FCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113051 BindingDB Entry DOI: 10.7270/Q2C53QK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcal£
Curated by ChEMBL
| Assay Description Inhibitory activity against R172A mutant reverse transcriptase |
J Med Chem 44: 1853-65 (2001)
Article DOI: 10.1021/jm001095i BindingDB Entry DOI: 10.7270/Q20V8GJ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
NIH
Curated by ChEMBL
| Assay Description Inhibition of HIV1 reverse transcriptase Y188C mutant in 293T cells |
Bioorg Med Chem Lett 16: 3034-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.049 BindingDB Entry DOI: 10.7270/Q2DN45VP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00128 BindingDB Entry DOI: 10.7270/Q2Q81HT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant wild-type HIV1 p66/p51 reverse transcriptase assessed as inhibition of [3H]dGTP incorporation using poly (rA) as templates ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00708 BindingDB Entry DOI: 10.7270/Q2S186CJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of wild type HIV1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric anal... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113868 BindingDB Entry DOI: 10.7270/Q2NS0ZSB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114512 BindingDB Entry DOI: 10.7270/Q2TH8RR7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00468 BindingDB Entry DOI: 10.7270/Q29027TT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Genova
Curated by ChEMBL
| Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB) |
J Med Chem 48: 3858-73 (2005)
Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Genova
Curated by ChEMBL
| Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C) |
J Med Chem 48: 3858-73 (2005)
Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 22.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcal£
Curated by ChEMBL
| Assay Description Inhibitory activity against wild-type HIV-1 reverse transcriptase |
J Med Chem 44: 1853-65 (2001)
Article DOI: 10.1021/jm001095i BindingDB Entry DOI: 10.7270/Q20V8GJ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 22.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcal£
Curated by ChEMBL
| Assay Description Inhibitory activity against E138K mutant reverse transcriptase |
J Med Chem 44: 1853-65 (2001)
Article DOI: 10.1021/jm001095i BindingDB Entry DOI: 10.7270/Q20V8GJ7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00535 BindingDB Entry DOI: 10.7270/Q2V98D1X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description The compound was evaluated for the inhibition of HIV-1 reverse transcriptase |
Bioorg Med Chem Lett 10: 193-5 (2000)
BindingDB Entry DOI: 10.7270/Q21G0MSH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Tested for inhibitory concentration against HIV-1 non-nucleoside reverse transcriptase |
Bioorg Med Chem Lett 11: 211-4 (2001)
BindingDB Entry DOI: 10.7270/Q2319WDF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay. |
Bioorg Med Chem Lett 11: 309-12 (2001)
BindingDB Entry DOI: 10.7270/Q23T9HSR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Inhibitory activity against HIV-1 reverse transcriptase |
Bioorg Med Chem Lett 11: 619-22 (2001)
BindingDB Entry DOI: 10.7270/Q2BC403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
NIH
Curated by ChEMBL
| Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant in 293T cells |
Bioorg Med Chem Lett 16: 3034-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.049 BindingDB Entry DOI: 10.7270/Q2DN45VP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of RNA-dependent DNA polymerase activity of wild type recombinant HIV-1 His-tagged p66/p51 reverse transcriptase assessed as inhibition of... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant HIV-1 BH10 reverse transcriptase using D38/[32P]25PGA as template-primer incubated for 5 mins in presence of DTT followed b... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115927 BindingDB Entry DOI: 10.7270/Q2MC93PM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114471 BindingDB Entry DOI: 10.7270/Q2057M0F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Genova
Curated by ChEMBL
| Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C) |
J Med Chem 48: 3858-73 (2005)
Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description Inhibition of HIV1 reverse transcriptase |
Bioorg Med Chem Lett 16: 3430-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.012 BindingDB Entry DOI: 10.7270/Q270827S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Genova
Curated by ChEMBL
| Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R) |
J Med Chem 48: 3858-73 (2005)
Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTT... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV-1 p66/p51 reverse transcriptase Y181C mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00128 BindingDB Entry DOI: 10.7270/Q2Q81HT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay |
Bioorg Med Chem Lett 16: 3541-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.080 BindingDB Entry DOI: 10.7270/Q22Z16RM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Universit£ di Roma La Sapienza
Curated by ChEMBL
| Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50% |
J Med Chem 48: 4378-88 (2005)
Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 92 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV-1 p66/p51 reverse transcriptase K103N mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00128 BindingDB Entry DOI: 10.7270/Q2Q81HT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HIV-1 p66/p51 reverse transcriptase L100I mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00128 BindingDB Entry DOI: 10.7270/Q2Q81HT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay |
Bioorg Med Chem Lett 16: 3541-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.080 BindingDB Entry DOI: 10.7270/Q22Z16RM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM2483
((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 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay |
Bioorg Med Chem Lett 16: 3541-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.080 BindingDB Entry DOI: 10.7270/Q22Z16RM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |