Found 31 hits Enzyme Inhibition Constant Data 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 |
Gag-Pol polyprotein [588-1027]/[588-1147]
(439/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 42: 4150-60 (1999)
Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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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 | 21 | 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
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Therapeutic concentration on reverse transcriptase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(438/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 42: 4150-60 (1999)
Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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Patents
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibitory activity against HIV-1 reverse transcriptase (wild type) |
J Med Chem 41: 3793-803 (1998)
Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT) |
J Med Chem 41: 1357-60 (1998)
Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(439/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | 8.3 | 28 |
Upjohn
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 39: 3769-89 (1996)
Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer |
J Med Chem 42: 4140-9 (1999)
BindingDB Entry DOI: 10.7270/Q2000192 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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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 | 394 | 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) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(439/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 422 | n/a | n/a | n/a | n/a | 8.2 | 37 |
DuPont Pharmaceuticals Company
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 43: 2019-30 (2000)
Article DOI: 10.1021/jm990580e BindingDB Entry DOI: 10.7270/Q28P5XP1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 422 | 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) |
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]
(437/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 625 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 42: 4150-60 (1999)
Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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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 | 657 | 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
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description In vitro for inhibition of HIV-1 reverse transcriptase. |
J Med Chem 39: 5267-75 (1997)
Article DOI: 10.1021/jm960269m BindingDB Entry DOI: 10.7270/Q2XK8DPT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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Patents
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| DrugBank MMDB PDB Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound was evaluated in vitro against HIV- I reverse transcriptase (RT) |
Bioorg Med Chem Lett 5: 1875-1880 (1995)
Article DOI: 10.1016/0960-894X(95)00311-G BindingDB Entry DOI: 10.7270/Q2BC3ZGH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(439/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 8.3 | 37 |
Upjohn
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 36: 1505-8 (1993)
Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1027]/[588-1147]
(439/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Roma La Sapienza
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
Bioorg Med Chem Lett 10: 253-6 (2000)
Article DOI: 10.1016/s0960-894x(99)00664-2 BindingDB Entry DOI: 10.7270/Q2Q81B7J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of purified recombinant HIV-1 reverse transcriptase |
Bioorg Med Chem Lett 9: 1593-8 (1999)
BindingDB Entry DOI: 10.7270/Q27H1K3Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system |
Bioorg Med Chem Lett 9: 3411-6 (2000)
BindingDB Entry DOI: 10.7270/Q2SX6CD8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT) |
Bioorg Med Chem Lett 9: 2721-6 (1999)
BindingDB Entry DOI: 10.7270/Q2D50M49 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assay |
Bioorg Med Chem Lett 10: 2071-4 (2000)
BindingDB Entry DOI: 10.7270/Q2668DQZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 | 4.38E+3 | 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
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 | 6.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibitory activity against HIV-1 reverse transcriptase (P236L) |
J Med Chem 41: 3793-803 (1998)
Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase |
J Med Chem 41: 1357-60 (1998)
Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 8.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer. |
J Med Chem 42: 4140-9 (1999)
BindingDB Entry DOI: 10.7270/Q2000192 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]
(438/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 39: 3769-89 (1996)
Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer. |
J Med Chem 42: 4140-9 (1999)
BindingDB Entry DOI: 10.7270/Q2000192 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]
(438/440 > 99%)† (Human immunodeficiency virus type 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn
| Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. |
J Med Chem 39: 3769-89 (1996)
Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn
Curated by ChEMBL
| Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase |
J Med Chem 41: 1357-60 (1998)
Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 11: 523-8 (2001)
BindingDB Entry DOI: 10.7270/Q237780X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(437/440 > 99%)† (Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | 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 PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... |
Bioorg Med Chem Lett 11: 523-8 (2001)
BindingDB Entry DOI: 10.7270/Q237780X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |