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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'kucera' and Initial = 'ls'   
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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Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
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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PubMed
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)
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063941
PNG
(5,6-Dichloro-1-(4-chloro-benzyl)-1H-benzoimidazol-...)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
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)
BDBM50063977
PNG
(5,6-Dichloro-1-(4-trifluoromethyl-benzyl)-1H-benzo...)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H10Cl2F3N3/c16-10-5-12-13(6-11(10)17)23(14(21)22-12)7-8-1-3-9(4-2-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
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)
BDBM50063948
PNG
(2-Bromo-5,6-dichloro-1-(3-nitro-benzyl)-1H-benzoim...)
Show SMILES [O-][N+](=O)c1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1
Show InChI InChI=1S/C14H8BrCl2N3O2/c15-14-18-12-5-10(16)11(17)6-13(12)19(14)7-8-2-1-3-9(4-8)20(21)22/h1-6H,7H2
PDB
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PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells.


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063945
PNG
(2-Bromo-5,6-dichloro-1-(3-methyl-benzyl)-1H-benzoi...)
Show SMILES Cc1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1
Show InChI InChI=1S/C15H11BrCl2N2/c1-9-3-2-4-10(5-9)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
PDB
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PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
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)
BDBM50063970
PNG
(2-Bromo-5,6-dichloro-1-(3,4-dichloro-benzyl)-1H-be...)
Show SMILES Clc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1Cl
Show InChI InChI=1S/C14H7BrCl4N2/c15-14-20-12-4-10(18)11(19)5-13(12)21(14)6-7-1-2-8(16)9(17)3-7/h1-5H,6H2
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063968
PNG
(1-(3,5-Bis-trifluoromethyl-benzyl)-2-bromo-5,6-dic...)
Show SMILES FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H7BrCl2F6N2/c17-14-26-12-4-10(18)11(19)5-13(12)27(14)6-7-1-8(15(20,21)22)3-9(2-7)16(23,24)25/h1-5H,6H2
PDB
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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 against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063972
PNG
(2,5,6-Trichloro-1-(4-methyl-benzyl)-1H-benzoimidaz...)
Show SMILES Cc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C15H11Cl3N2/c1-9-2-4-10(5-3-9)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3
PDB
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063937
PNG
(2-Bromo-5,6-dichloro-1-(4-methoxy-benzyl)-1H-benzo...)
Show SMILES COc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C15H11BrCl2N2O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
PDB
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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 against Human Immunodeficiency Virus by Reverse transcriptase assay CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50063958
PNG
(2,5,6-Trichloro-1-(4-nitro-benzyl)-1H-benzoimidazo...)
Show SMILES [O-][N+](=O)c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C14H8Cl3N3O2/c15-10-5-12-13(6-11(10)16)19(14(17)18-12)7-8-1-3-9(4-2-8)20(21)22/h1-6H,7H2
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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 against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair