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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'wotring' and Initial = 'll'   
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/RNaseH


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50031364
PNG
(4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12
Show InChI InChI=1S/C12H14FN5O4/c13-7-8(20)5(2-19)22-12(7)18-1-4(10(15)21)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,21)(H2,14,16,17)
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50031365
PNG
(4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...)
Show SMILES NC(=S)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12
Show InChI InChI=1S/C12H14FN5O3S/c13-7-8(20)5(2-19)21-12(7)18-1-4(10(15)22)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,22)(H2,14,16,17)
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n/an/a 70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
GMP synthase [glutamine-hydrolyzing]


(Mus musculus)
BDBM50042853
PNG
(CHEMBL127366 | N-(4-Isothiocyanatomethyl-thiazol-2...)
Show SMILES O=C(Nc1nc(CN=C=S)cs1)c1ccccc1
Show InChI InChI=1S/C12H9N3OS2/c16-11(9-4-2-1-3-5-9)15-12-14-10(7-18-12)6-13-8-17/h1-5,7H,6H2,(H,14,15,16)
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n/an/a 350n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against partially purified GMP synthetase in L1210 cells


J Med Chem 36: 3849-52 (1994)


BindingDB Entry DOI: 10.7270/Q2W9588K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50407562
PNG
(CHEMBL2112687)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|
Show InChI InChI=1S/C12H11BrFN5O3/c13-9-4(1-15)6-10(16)17-3-18-11(6)19(9)12-7(14)8(21)5(2-20)22-12/h3,5,7-8,12,20-21H,2H2,(H2,16,17,18)/t5-,7+,8-,12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50407560
PNG
(CHEMBL473686)
Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C12H12FN5O3/c13-8-9(20)6(3-19)21-12(8)18-2-5(1-14)7-10(15)16-4-17-11(7)18/h2,4,6,8-9,12,19-20H,3H2,(H2,15,16,17)/t6-,8+,9-,12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50408925
PNG
(CHEMBL2112098)
Show SMILES Cn1nc(N)c2cn([C@H]3CC[C@@H](CO)O3)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h4,6-7,9,20H,2-3,5H2,1H3,(H2,14,17)/t7-,9+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50407563
PNG
(CHEMBL2111874)
Show SMILES Nc1ncnc2n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|
Show InChI InChI=1S/C12H11BrFN5O3/c13-9-4(1-15)6-10(16)17-3-18-11(6)19(9)12-7(14)8(21)5(2-20)22-12/h3,5,7-8,12,20-21H,2H2,(H2,16,17,18)/t5-,7+,8-,12+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50369530
PNG
(CHEMBL1790617)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)C[C@H]3O)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O3/c1-18-11-9-7(10(14)17-18)3-19(12(9)16-5-15-11)13-8(21)2-6(4-20)22-13/h3,5-6,8,13,20-21H,2,4H2,1H3,(H2,14,17)/t6-,8+,13+/m0/s1
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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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50089382
PNG
(CHEMBL315509 | [4-(3-Amino-5-methyl-5H-1,4,5,6,8-p...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H]4O[C@H]34)c3ncnc1c23
Show InChI InChI=1S/C13H14N6O3/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9-8(22-9)6(3-20)21-13/h2,4,6,8-9,13,20H,3H2,1H3,(H2,14,17)/t6-,8-,9+,13?/m1/s1
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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 tested in cells acutely infected with HIV-1 Reverse transcriptase


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50407561
PNG
(CHEMBL2112691)
Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C12H12FN5O3/c13-8-9(20)6(3-19)21-12(8)18-2-5(1-14)7-10(15)16-4-17-11(7)18/h2,4,6,8-9,12,19-20H,3H2,(H2,15,16,17)/t6-,8+,9-,12+/m1/s1
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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 in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50369527
PNG
(CHEMBL609194)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cc2c(N)nn(C)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H16N6O3/c1-5-8(20)9(21)13(22-5)19-3-6-7-11(15-4-16-12(7)19)18(2)17-10(6)14/h3-5,8-9,13,20-21H,1-2H3,(H2,14,17)/t5-,8-,9-,13?/m1/s1
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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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50089380
PNG
(CHEMBL81002 | [5-(3-Amino-5-methyl-5H-1,4,5,6,8-pe...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)C=C3)c3ncnc1c23 |c:13|
Show InChI InChI=1S/C13H14N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h2-4,6-7,9,20H,5H2,1H3,(H2,14,17)/t7-,9?/m0/s1
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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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50089381
PNG
(5-(3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenapht...)
Show SMILES Cn1nc(N)c2cn(C3C[C@@H](O)[C@@H](CO)O3)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O3/c1-18-12-10-6(11(14)17-18)3-19(13(10)16-5-15-12)9-2-7(21)8(4-20)22-9/h3,5,7-9,20-21H,2,4H2,1H3,(H2,14,17)/t7-,8-,9?/m1/s1
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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 tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair