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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 460   
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 [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2753
PNG
(Alkenyldiarylmethanes (ADAM) 22 | CHEMBL294840 | M...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H26Cl2O8/c1-31-21(28)9-7-6-8-16(14-10-17(24(29)34-4)22(32-2)19(26)12-14)15-11-18(25(30)35-5)23(33-3)20(27)13-15/h8,10-13H,6-7,9H2,1-5H3
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n/an/a 300n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2739
PNG
(Alkenyldiarylmethane (ADAM) 1 | Alkenyldiarylmetha...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H28Br2O6/c1-6-7-8-9-10-17(15-11-18(24(28)32-4)22(30-2)20(26)13-15)16-12-19(25(29)33-5)23(31-3)21(27)14-16/h10-14H,6-9H2,1-5H3
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n/an/a 380n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2751
PNG
(4-Azido-3,3-dichloro-4,4-dimethoxy-5,5-bis(methoxy...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H21Cl2N3O6/c1-30-19-15(21(28)32-3)8-12(10-17(19)23)14(6-5-7-26-27-25)13-9-16(22(29)33-4)20(31-2)18(24)11-13/h6,8-11H,5,7H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2760
PNG
(4,4-Dimethoxy-3,3-bis(methoxycarbonyl)-1,1-dipheny...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H30O6/c1-6-7-8-9-10-19(17-11-13-22(28-2)20(15-17)24(26)30-4)18-12-14-23(29-3)21(16-18)25(27)31-5/h10-16H,6-9H2,1-5H3
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n/an/a 3.20E+3n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2754
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]-[#8])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H26Cl2O7/c1-30-21-17(23(28)32-3)10-14(12-19(21)25)16(8-6-5-7-9-27)15-11-18(24(29)33-4)22(31-2)20(26)13-15/h8,10-13,27H,5-7,9H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2745
PNG
(3,3-Dibromo-4,4-dimethoxy-5,5-bis(methoxycarbonyl)...)
Show SMILES CCCCCC1OC1(c1cc(Br)c(OC)c(c1)C(=O)OC)c1cc(Br)c(OC)c(c1)C(=O)OC
Show InChI InChI=1S/C25H28Br2O7/c1-6-7-8-9-20-25(34-20,14-10-16(23(28)32-4)21(30-2)18(26)12-14)15-11-17(24(29)33-5)22(31-3)19(27)13-15/h10-13,20H,6-9H2,1-5H3
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n/an/a 5.60E+3n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2761
PNG
(3,3-Diiodo-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(I)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(I)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H28I2O6/c1-6-7-8-9-10-17(15-11-18(24(28)32-4)22(30-2)20(26)13-15)16-12-19(25(29)33-5)23(31-3)21(27)14-16/h10-14H,6-9H2,1-5H3
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n/an/a 1.10E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2747
PNG
(Alkenyldiarylmethane (ADAM) 15 | Alkenyldiarylmeth...)
Show SMILES [#6]-[#8]-[#6](=O)\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H20Cl2O8/c1-28-18(25)10-13(11-6-14(21(26)31-4)19(29-2)16(23)8-11)12-7-15(22(27)32-5)20(30-3)17(24)9-12/h6-10H,1-5H3
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n/an/a 1.60E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2741
PNG
(3,3-Dibromo-4,4-dimethoxy-5,5-bis(methoxycarbonyl)...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C21H20Br2O6/c1-6-13(11-7-14(20(24)28-4)18(26-2)16(22)9-11)12-8-15(21(25)29-5)19(27-3)17(23)10-12/h6-10H,1-5H3
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n/an/a 2.60E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2743
PNG
(3,3-Dibromo-4-hydroxy-4,4-dimethoxy-5,5-bis-(metho...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H22Br2O7/c1-28-19-15(21(26)30-3)8-12(10-17(19)23)14(6-5-7-25)13-9-16(22(27)31-4)20(29-2)18(24)11-13/h6,8-11,25H,5,7H2,1-4H3
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n/an/a 3.16E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2752
PNG
(4-Amino-3,3-dichloro-4,4-dimethoxy-5,5-bis(methoxy...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H23Cl2NO6/c1-28-19-15(21(26)30-3)8-12(10-17(19)23)14(6-5-7-25)13-9-16(22(27)31-4)20(29-2)18(24)11-13/h6,8-11H,5,7,25H2,1-4H3
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n/an/a 6.30E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2744
PNG
(4-Azido-3,3-dibromo-4,4-dimethoxy-5,5-bis(methoxyc...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H21Br2N3O6/c1-30-19-15(21(28)32-3)8-12(10-17(19)23)14(6-5-7-26-27-25)13-9-16(22(29)33-4)20(31-2)18(24)11-13/h6,8-11H,5,7H2,1-4H3
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n/an/a 9.40E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2750
PNG
(3,3-Dichloro-4-methanesulfonyloxy-4,4-dimethoxy-5,...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8]S([#6])(=O)=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C23H24Cl2O9S/c1-30-20-16(22(26)32-3)9-13(11-18(20)24)15(7-6-8-34-35(5,28)29)14-10-17(23(27)33-4)21(31-2)19(25)12-14/h7,9-12H,6,8H2,1-5H3
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n/an/a 9.60E+4n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2748
PNG
(Alkenyldiarylmethane (ADAM) 16 | Alkenyldiarylmeth...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6](=O)-[#8]C([#6])([#6])[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H26Cl2O8/c1-25(2,3)35-20(28)12-15(13-8-16(23(29)33-6)21(31-4)18(26)10-13)14-9-17(24(30)34-7)22(32-5)19(27)11-14/h8-12H,1-7H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2746
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C21H18Cl2O8/c1-28-18-13(20(26)30-3)5-10(7-15(18)22)12(9-17(24)25)11-6-14(21(27)31-4)19(29-2)16(23)8-11/h5-9H,1-4H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2742
PNG
(3,3-Dibromo-4,4-dimethoxy-5,5-bis(methoxycarbonyl)...)
Show SMILES [#6]-[#8]\[#6]=[#6](\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C21H20Br2O7/c1-26-10-15(11-6-13(20(24)29-4)18(27-2)16(22)8-11)12-7-14(21(25)30-5)19(28-3)17(23)9-12/h6-10H,1-5H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2755
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H24Cl2O8/c1-31-21-16(23(29)33-3)9-13(11-18(21)25)15(7-5-6-8-20(27)28)14-10-17(24(30)34-4)22(32-2)19(26)12-14/h7,9-12H,5-6,8H2,1-4H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2749
PNG
(3,3-Dichloro-4-hydroxy-4,4-dimethoxy-5,5-bis-(meth...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C22H22Cl2O7/c1-28-19-15(21(26)30-3)8-12(10-17(19)23)14(6-5-7-25)13-9-16(22(27)31-4)20(29-2)18(24)11-13/h6,8-11,25H,5,7H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2757
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(carboxy)-4,4-di...)
Show SMILES [#6]-[#8]-c1c(Cl)cc(cc1-[#6](-[#8])=O)-[#6](=[#6]\[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C20H16Cl2O8/c1-29-17-12(19(25)26)5-9(7-14(17)21)11(3-4-16(23)24)10-6-13(20(27)28)18(30-2)15(22)8-10/h3,5-8H,4H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2758
PNG
(8-chloro-6-[1-(8-chloro-2,2-dimethyl-4-oxo-2,4-dih...)
Show SMILES [#6]C1([#6])[#8]-[#6](=O)-c2cc(cc(Cl)c2-[#8]1)-[#6](=[#6]/[#6]-[#6]-[#8])\c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1
Show InChI InChI=1S/C24H22Cl2O7/c1-23(2)30-19-15(21(28)32-23)8-12(10-17(19)25)14(6-5-7-27)13-9-16-20(18(26)11-13)31-24(3,4)33-22(16)29/h6,8-11,27H,5,7H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2759
PNG
(1-Bromo-4,4-bis[8,8-dichloro-2,2,2,2-tetramethyl-4...)
Show SMILES [#6]C1([#6])[#8]-[#6](=O)-c2cc(cc(Cl)c2-[#8]1)-[#6](=[#6]/[#6]-[#6]Br)\c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1
Show InChI InChI=1S/C24H21BrCl2O6/c1-23(2)30-19-15(21(28)32-23)8-12(10-17(19)26)14(6-5-7-25)13-9-16-20(18(27)11-13)31-24(3,4)33-22(16)29/h6,8-11H,5,7H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2740
PNG
(3,3-Dibromo-4,4-dimethoxy-5,5-bis(methoxycarbonyl)...)
Show SMILES COC(=O)c1cc(cc(Br)c1OC)C(=C)c1cc(Br)c(OC)c(c1)C(=O)OC
Show InChI InChI=1S/C20H18Br2O6/c1-10(11-6-13(19(23)27-4)17(25-2)15(21)8-11)12-7-14(20(24)28-5)18(26-3)16(22)9-12/h6-9H,1H2,2-5H3
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2756
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(carboxy)-6,6-di...)
Show SMILES [#6]-[#8]-c1c(Cl)cc(cc1-[#6](-[#8])=O)-[#6](=[#6]\[#6]-[#6]-[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C22H20Cl2O8/c1-31-19-14(21(27)28)7-11(9-16(19)23)13(5-3-4-6-18(25)26)12-8-15(22(29)30)20(32-2)17(24)10-12/h5,7-10H,3-4,6H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)
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n/an/a>1.00E+5n/an/an/an/a7.9n/a



Purdue University



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.


J Med Chem 41: 2076-89 (1998)


Article DOI: 10.1021/jm9800595
BindingDB Entry DOI: 10.7270/Q2251GC2
More data for this
Ligand-Target Pair