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PubMed code 10882373

Compile data set for download or QSAR
Found 15 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)
BDBM50369541
PNG
(CHEMBL608901)
Show SMILES CCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N6O5/c1-3-4-5-6-7-13(28)23-17-11-8-26(20-16(30)15(29)12(9-27)31-20)19-14(11)18(21-10-22-19)25(2)24-17/h8,10,12,15-16,20,27,29-30H,3-7,9H2,1-2H3,(H,23,24,28)/t12-,15-,16-,20?/m1/s1
PDB
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PC cid
PC sid
UniChem
PubMed
n/an/a 35n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50422306
PNG
(Phosphate Salt Of Tricyclic Nucleoside | TRICIRIBI...)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369528
PNG
(NSC-154020 | TRICIRIBINE)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369542
PNG
(CHEMBL611850)
Show SMILES CCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H30N6O5/c1-3-4-5-6-7-8-14(29)24-18-12-9-27(21-17(31)16(30)13(10-28)32-21)20-15(12)19(22-11-23-20)26(2)25-18/h9,11,13,16-17,21,28,30-31H,3-8,10H2,1-2H3,(H,24,25,29)/t13-,16-,17-,21?/m1/s1
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KEGG
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n/an/a 100n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369534
PNG
(CHEMBL607723)
Show SMILES CCCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H34N6O5/c1-3-4-5-6-7-8-9-10-16(31)26-20-14-11-29(23-19(33)18(32)15(12-30)34-23)22-17(14)21(24-13-25-22)28(2)27-20/h11,13,15,18-19,23,30,32-33H,3-10,12H2,1-2H3,(H,26,27,31)/t15-,18-,19-,23?/m1/s1
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n/an/a 250n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369533
PNG
(CHEMBL611245)
Show SMILES CCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H26N6O5/c1-3-4-5-6-12(27)22-16-10-7-25(19-15(29)14(28)11(8-26)30-19)18-13(10)17(20-9-21-18)24(2)23-16/h7,9,11,14-15,19,26,28-29H,3-6,8H2,1-2H3,(H,22,23,27)/t11-,14-,15-,19?/m1/s1
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n/an/a 350n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369536
PNG
(CHEMBL611242)
Show SMILES CCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H22N6O5/c1-3-4-10(25)20-14-8-5-23(17-13(27)12(26)9(6-24)28-17)16-11(8)15(18-7-19-16)22(2)21-14/h5,7,9,12-13,17,24,26-27H,3-4,6H2,1-2H3,(H,20,21,25)/t9-,12-,13-,17?/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369540
PNG
(CHEMBL608301)
Show SMILES CCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N6O5/c1-3-4-5-11(26)21-15-9-6-24(18-14(28)13(27)10(7-25)29-18)17-12(9)16(19-8-20-17)23(2)22-15/h6,8,10,13-14,18,25,27-28H,3-5,7H2,1-2H3,(H,21,22,26)/t10-,13-,14-,18?/m1/s1
PDB
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n/an/a 800n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369535
PNG
(CHEMBL607724)
Show SMILES CCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H32N6O5/c1-3-4-5-6-7-8-9-15(30)25-19-13-10-28(22-18(32)17(31)14(11-29)33-22)21-16(13)20(23-12-24-21)27(2)26-19/h10,12,14,17-18,22,29,31-32H,3-9,11H2,1-2H3,(H,25,26,30)/t14-,17-,18-,22?/m1/s1
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UniProtKB/TrEMBL

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PC cid
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n/an/a 800n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369537
PNG
(CHEMBL611243)
Show SMILES CCCCCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H38N6O5/c1-3-4-5-6-7-8-9-10-11-12-18(33)28-22-16-13-31(25-21(35)20(34)17(14-32)36-25)24-19(16)23(26-15-27-24)30(2)29-22/h13,15,17,20-21,25,32,34-35H,3-12,14H2,1-2H3,(H,28,29,33)/t17-,20-,21-,25?/m1/s1
PDB
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369539
PNG
(CHEMBL610949)
Show SMILES CC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H18N6O5/c1-6(23)18-12-7-3-21(15-11(25)10(24)8(4-22)26-15)14-9(7)13(16-5-17-14)20(2)19-12/h3,5,8,10-11,15,22,24-25H,4H2,1-2H3,(H,18,19,23)/t8-,10-,11-,15?/m1/s1
PDB
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369532
PNG
(CHEMBL610657)
Show SMILES CC(C)C(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H22N6O5/c1-7(2)16(27)20-13-8-4-23(17-12(26)11(25)9(5-24)28-17)15-10(8)14(18-6-19-15)22(3)21-13/h4,6-7,9,11-12,17,24-26H,5H2,1-3H3,(H,20,21,27)/t9-,11-,12-,17?/m1/s1
PDB
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369538
PNG
(CHEMBL609191)
Show SMILES CCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H20N6O5/c1-3-9(24)19-13-7-4-22(16-12(26)11(25)8(5-23)27-16)15-10(7)14(17-6-18-15)21(2)20-13/h4,6,8,11-12,16,23,25-26H,3,5H2,1-2H3,(H,19,20,24)/t8-,11-,12-,16?/m1/s1
PDB
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369531
PNG
(CHEMBL608900)
Show SMILES Cn1nc(NC(=O)c2ccccc2)c2cn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C20H20N6O5/c1-25-17-13-11(16(24-25)23-19(30)10-5-3-2-4-6-10)7-26(18(13)22-9-21-17)20-15(29)14(28)12(8-27)31-20/h2-7,9,12,14-15,20,27-29H,8H2,1H3,(H,23,24,30)/t12-,14-,15-,20?/m1/s1
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UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369543
PNG
(CHEMBL610370)
Show SMILES Cn1nc(NC(=O)C(C)(C)C)c2cn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C18H24N6O5/c1-18(2,3)17(28)21-13-8-5-24(16-12(27)11(26)9(6-25)29-16)15-10(8)14(19-7-20-15)23(4)22-13/h5,7,9,11-12,16,25-27H,6H2,1-4H3,(H,21,22,28)/t9-,11-,12-,16?/m1/s1
PDB
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UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1


J Med Chem 43: 2457-63 (2000)

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