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PubMed code 12781181

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366817
PNG
(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PubMed
n/an/an/an/a 42n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase wild type


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366817
PNG
(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



The University of Georgia

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50421604
PNG
(ACH-126443 | ELVUCITABINE)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](CO)C=C1 |c:15|
Show InChI InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 180n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase wild type


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |r,c:18|
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/an/a 1.55E+4n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 450n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase wild type


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50421604
PNG
(ACH-126443 | ELVUCITABINE)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](CO)C=C1 |c:15|
Show InChI InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 140n/an/an/an/a



The University of Georgia

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |r,c:18|
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase wild type


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 500n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant


Bioorg Med Chem Lett 13: 1993-6 (2003)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%