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Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'shigeta' and Initial = 's'   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 2.60n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5052
PNG
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 4.30n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5054
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-1,3-thia...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl
Show InChI InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14-
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n/an/a 9n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5051
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 9.40n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
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n/an/a 9.5n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5041
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14-
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Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5048
PNG
(5-Chloro-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-t...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16ClN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5053
PNG
(2,5-dicyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C
Show InChI InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16-
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n/an/a 12n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5052
PNG
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 13n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5050
PNG
(5-Bromo-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-th...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16BrN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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n/an/a 18n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5051
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5041
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14-
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n/an/a 32n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5052
PNG
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 43n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5029
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-8-6-7-11(16)9-12/h6-9H,1-5H3/b17-14-
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n/an/a 44n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5047
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n1C)C(C)(C)C
Show InChI InChI=1S/C16H18ClN3O2S2/c1-10-14(16(2,3)4)23-15(20(10)5)19-24(21,22)13-8-12(17)7-6-11(13)9-18/h6-8H,1-5H3/b19-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5112
PNG
(N-(3,4-Dimethyl-5-isopropyl-1,3-thiazol-2(3H)-ylid...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C14H17N3O4S2/c1-9(2)13-10(3)16(4)14(22-13)15-23(20,21)12-7-5-6-11(8-12)17(18)19/h5-9H,1-4H3/b15-14-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5054
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-1,3-thia...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl
Show InChI InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5049
PNG
(2-cyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2,3-d...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(F)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16FN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5042
PNG
(2-Amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2N)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3/b18-14-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5119
PNG
(N-(5-tert-Butyl-3-ethyl-4-methyl-1,3-thiazol-2(3H)...)
Show SMILES CCn1c(C)c(s\c1=N/S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(C)(C)C
Show InChI InChI=1S/C16H21N3O4S2/c1-6-18-11(2)14(16(3,4)5)24-15(18)17-25(22,23)13-9-7-8-12(10-13)19(20)21/h7-10H,6H2,1-5H3/b17-15-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5120
PNG
(N-(3,4-Dimethyl-5-vinyl-1,3-thiazol-2(3H)-ylidene)...)
Show SMILES Cc1c(C=C)s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C13H13N3O4S2/c1-4-12-9(2)15(3)13(21-12)14-22(19,20)11-7-5-6-10(8-11)16(17)18/h4-8H,1H2,2-3H3/b14-13-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5051
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5047
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n1C)C(C)(C)C
Show InChI InChI=1S/C16H18ClN3O2S2/c1-10-14(16(2,3)4)23-15(20(10)5)19-24(21,22)13-8-12(17)7-6-11(13)9-18/h6-8H,1-5H3/b19-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5042
PNG
(2-Amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2N)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3/b18-14-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5048
PNG
(5-Chloro-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-t...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16ClN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5116
PNG
(N-(5-Isopropyl-3-methyl-4-trifluoromethyl-1,3-thia...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(F)(F)F
Show InChI InChI=1S/C14H14F3N3O4S2/c1-8(2)11-12(14(15,16)17)19(3)13(25-11)18-26(23,24)10-6-4-5-9(7-10)20(21)22/h4-8H,1-3H3/b18-13-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5050
PNG
(5-Bromo-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-th...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16BrN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a 270n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5029
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-8-6-7-11(16)9-12/h6-9H,1-5H3/b17-14-
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Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5112
PNG
(N-(3,4-Dimethyl-5-isopropyl-1,3-thiazol-2(3H)-ylid...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C14H17N3O4S2/c1-9(2)13-10(3)16(4)14(22-13)15-23(20,21)12-7-5-6-11(8-12)17(18)19/h5-9H,1-4H3/b15-14-
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n/an/a 340n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
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Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5036
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O3S2/c1-10-13(15(2,3)4)21-14(17(10)5)16-22(19,20)12-9-7-6-8-11(12)18/h6-9,18H,1-5H3/b16-14-
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Yamanouchi Pharmaceutical Co. Ltd



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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
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Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5111
PNG
(N-(5-Ethyl-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene)...)
Show SMILES CCc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C13H15N3O4S2/c1-4-12-9(2)15(3)13(21-12)14-22(19,20)11-7-5-6-10(8-11)16(17)18/h5-8H,4H2,1-3H3/b14-13-
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Yamanouchi Pharmaceutical Co. Ltd



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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM5053
PNG
(2,5-dicyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C
Show InChI InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16-
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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 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM5116
PNG
(N-(5-Isopropyl-3-methyl-4-trifluoromethyl-1,3-thia...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(F)(F)F
Show InChI InChI=1S/C14H14F3N3O4S2/c1-8(2)11-12(14(15,16)17)19(3)13(25-11)18-26(23,24)10-6-4-5-9(7-10)20(21)22/h4-8H,1-3H3/b18-13-
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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 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
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