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PubMed code 15670903

Compile data set for download or QSAR
Found 92 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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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)
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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)
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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)
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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 66n/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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 1.10E+3n/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
Gag-Pol polyprotein [588-1027]/[588-1147]


(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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n/an/a 1.60E+3n/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(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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n/an/a 2.10E+3n/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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5039
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)ccc2[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H18ClN3O4S2/c1-9-13(15(2,3)4)24-14(18(9)5)17-25(22,23)12-8-10(16)6-7-11(12)19(20)21/h6-8H,1-5H3/b17-14-
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n/an/a 2.40E+3n/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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 3.00E+3n/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5040
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)c2O)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)11-8-6-7-10(16)12(11)19/h6-8,19H,1-5H3/b17-14-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5033
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1cccc(c1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-8-12(10-13)21-6/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5037
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(O)c2)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)12-8-6-7-11(18)9-12/h6-9,18H,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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5034
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccc(cc1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-12(21-6)8-10-13/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5045
PNG
(Methyl 2-{[(5-tert-butyl-3,4-dimethyl-1,3-thiazol-...)
Show SMILES COC(=O)c1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H21ClN2O4S2/c1-10-14(17(2,3)4)25-16(20(10)5)19-26(22,23)13-9-11(18)7-8-12(13)15(21)24-6/h7-9H,1-6H3/b19-16-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5030
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[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)12-8-6-11(7-9-12)18(19)20/h6-9H,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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5028
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)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)12-9-7-6-8-11(12)16/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5046
PNG
(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,3...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H20ClN3O3S2/c1-9-13(16(2,3)4)24-15(20(9)5)19-25(22,23)12-8-10(17)6-7-11(12)14(18)21/h6-8H,1-5H3,(H2,18,21)/b19-15-
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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5038
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(O)cc2)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)12-8-6-11(18)7-9-12/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5038
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(O)cc2)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)12-8-6-11(18)7-9-12/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5028
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)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)12-9-7-6-8-11(12)16/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5045
PNG
(Methyl 2-{[(5-tert-butyl-3,4-dimethyl-1,3-thiazol-...)
Show SMILES COC(=O)c1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H21ClN2O4S2/c1-10-14(17(2,3)4)25-16(20(10)5)19-26(22,23)13-9-11(18)7-8-12(13)15(21)24-6/h7-9H,1-6H3/b19-16-
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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5031
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)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)12-8-6-11(16)7-9-12/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5030
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[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)12-8-6-11(7-9-12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a>1.00E+4n/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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5031
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)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)12-8-6-11(16)7-9-12/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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5045
PNG
(Methyl 2-{[(5-tert-butyl-3,4-dimethyl-1,3-thiazol-...)
Show SMILES COC(=O)c1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H21ClN2O4S2/c1-10-14(17(2,3)4)25-16(20(10)5)19-26(22,23)13-9-11(18)7-8-12(13)15(21)24-6/h7-9H,1-6H3/b19-16-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5034
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccc(cc1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-12(21-6)8-10-13/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5031
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)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)12-8-6-11(16)7-9-12/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5028
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)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)12-9-7-6-8-11(12)16/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5030
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[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)12-8-6-11(7-9-12)18(19)20/h6-9H,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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5034
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccc(cc1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-12(21-6)8-10-13/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5038
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(O)cc2)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)12-8-6-11(18)7-9-12/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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5046
PNG
(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,3...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H20ClN3O3S2/c1-9-13(16(2,3)4)24-15(20(9)5)19-25(22,23)12-8-10(17)6-7-11(12)14(18)21/h6-8H,1-5H3,(H2,18,21)/b19-15-
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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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5046
PNG
(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,3...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H20ClN3O3S2/c1-9-13(16(2,3)4)24-15(20(9)5)19-25(22,23)12-8-10(17)6-7-11(12)14(18)21/h6-8H,1-5H3,(H2,18,21)/b19-15-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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 1.10E+4n/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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 1.30E+4n/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5037
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(O)c2)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)12-8-6-7-11(18)9-12/h6-9,18H,1-5H3/b16-14-
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n/an/a 1.40E+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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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n/an/a 1.70E+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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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n/an/a 3.00E+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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5027
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[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)12-9-7-6-8-11(12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a 3.60E+4n/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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(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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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5040
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)c2O)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)11-8-6-7-10(16)12(11)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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5037
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(O)c2)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)12-8-6-7-11(18)9-12/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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5044
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)ccc2NS(C)(=O)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22ClN3O4S3/c1-10-14(16(2,3)4)25-15(20(10)5)19-27(23,24)13-9-11(17)7-8-12(13)18-26(6,21)22/h7-9,18H,1-6H3/b19-15-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5032
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccccc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-10-8-7-9-12(13)21-6/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5044
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)ccc2NS(C)(=O)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22ClN3O4S3/c1-10-14(16(2,3)4)25-15(20(10)5)19-27(23,24)13-9-11(17)7-8-12(13)18-26(6,21)22/h7-9,18H,1-6H3/b19-15-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5043
PNG
(N-(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-...)
Show SMILES CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H22ClN3O3S2/c1-10-15(17(3,4)5)25-16(21(10)6)20-26(23,24)14-9-12(18)7-8-13(14)19-11(2)22/h7-9H,1-6H3,(H,19,22)/b20-16-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5043
PNG
(N-(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-...)
Show SMILES CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H22ClN3O3S2/c1-10-15(17(3,4)5)25-16(21(10)6)20-26(23,24)14-9-12(18)7-8-13(14)19-11(2)22/h7-9H,1-6H3,(H,19,22)/b20-16-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5027
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[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)12-9-7-6-8-11(12)18(19)20/h6-9H,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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5033
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1cccc(c1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-8-12(10-13)21-6/h7-10H,1-6H3/b17-15-
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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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM5044
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)ccc2NS(C)(=O)=O)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22ClN3O4S3/c1-10-14(16(2,3)4)25-15(20(10)5)19-27(23,24)13-9-11(17)7-8-12(13)18-26(6,21)22/h7-9,18H,1-6H3/b19-15-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5035
PNG
(CHEMBL235747 | N-(5-tert-Butyl-3,4-dimethyl-1,3-th...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O2S2/c1-11-13(15(2,3)4)20-14(17(11)5)16-21(18,19)12-9-7-6-8-10-12/h6-10H,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
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM5043
PNG
(N-(2-{[(2Z)-5-tert-butyl-3,4-dimethyl-2,3-dihydro-...)
Show SMILES CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C17H22ClN3O3S2/c1-10-15(17(3,4)5)25-16(21(10)6)20-26(23,24)14-9-12(18)7-8-13(14)19-11(2)22/h7-9H,1-6H3,(H,19,22)/b20-16-
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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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5039
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)ccc2[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H18ClN3O4S2/c1-9-13(15(2,3)4)24-14(18(9)5)17-25(22,23)12-8-10(16)6-7-11(12)19(20)21/h6-8H,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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5027
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[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)12-9-7-6-8-11(12)18(19)20/h6-9H,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
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)		BDBM5032
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccccc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-10-8-7-9-12(13)21-6/h7-10H,1-6H3/b17-15-
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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
* indicates data uncertainty>20%