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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'stup' and Initial = 'tl'   
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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2775
PNG
(Alkenyldiarylmethane (ADAM) 17a | Alkenyldiarylmet...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C25H26Br2O8/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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2844
PNG
(Alkenyldiarylmethane (ADAM) 12c | Methyl 3,3-Dichl...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#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/C26H28Cl2O8/c1-32-22(29)10-8-6-7-9-17(15-11-18(25(30)35-4)23(33-2)20(27)13-15)16-12-19(26(31)36-5)24(34-3)21(28)14-16/h9,11-14H,6-8,10H2,1-5H3
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n/an/a 470n/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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2841
PNG
(6-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]-[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25Cl2N3O6/c1-32-21-17(23(30)34-3)10-14(12-19(21)25)16(8-6-5-7-9-28-29-27)15-11-18(24(31)35-4)22(33-2)20(26)13-15/h8,10-13H,5-7,9H2,1-4H3
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n/an/a 800n/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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2775
PNG
(Alkenyldiarylmethane (ADAM) 17a | Alkenyldiarylmet...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C25H26Br2O8/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 1.00E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2845
PNG
(3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#6]-[#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/C26H28Cl2O7/c1-6-17(29)9-7-8-10-18(15-11-19(25(30)34-4)23(32-2)21(27)13-15)16-12-20(26(31)35-5)24(33-3)22(28)14-16/h10-14H,6-9H2,1-5H3
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n/an/a 1.00E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2842
PNG
(5,5-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#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/C27H31Cl2NO8/c1-6-30-27(33)38-11-9-7-8-10-18(16-12-19(25(31)36-4)23(34-2)21(28)14-16)17-13-20(26(32)37-5)24(35-3)22(29)15-17/h10,12-15H,6-9,11H2,1-5H3,(H,30,33)
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n/an/a 1.20E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2841
PNG
(6-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]-[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25Cl2N3O6/c1-32-21-17(23(30)34-3)10-14(12-19(21)25)16(8-6-5-7-9-28-29-27)15-11-18(24(31)35-4)22(33-2)20(26)13-15/h8,10-13H,5-7,9H2,1-4H3
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n/an/a 1.30E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
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 1.90E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2839
PNG
(6-Bromo-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]-[#6]-[#6]Br)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25BrCl2O6/c1-30-21-17(23(28)32-3)10-14(12-19(21)26)16(8-6-5-7-9-25)15-11-18(24(29)33-4)22(31-2)20(27)13-15/h8,10-13H,5-7,9H2,1-4H3
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n/an/a 1.90E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2836
PNG
(Alkenyldiarylmethane (ADAM) 3c | Methyl 3,3-Dichlo...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C23H22Cl2O8/c1-29-19(26)7-6-14(12-8-15(22(27)32-4)20(30-2)17(24)10-12)13-9-16(23(28)33-5)21(31-3)18(25)11-13/h6,8-11H,7H2,1-5H3
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n/an/a 2.20E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2846
PNG
((3-chloro-5-{1-[3-chloro-5-(hydroxymethyl)-4-metho...)
Show SMILES CCC(CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 |w:6.5|
Show InChI InChI=1S/C27H34Cl2O6/c1-4-17(27-34-9-10-35-27)7-5-6-8-22(18-11-20(15-30)25(32-2)23(28)13-18)19-12-21(16-31)26(33-3)24(29)14-19/h8,11-14,17,27,30-31H,4-7,9-10,15-16H2,1-3H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2842
PNG
(5,5-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#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/C27H31Cl2NO8/c1-6-30-27(33)38-11-9-7-8-10-18(16-12-19(25(31)36-4)23(34-2)21(28)14-16)17-13-20(26(32)37-5)24(35-3)22(29)15-17/h10,12-15H,6-9,11H2,1-5H3,(H,30,33)
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2837
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]-1-[#8]-[#6]-[#6]-[#8]-1)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H24Cl2O8/c1-29-21-16(23(27)31-3)9-13(11-18(21)25)15(5-6-20-33-7-8-34-20)14-10-17(24(28)32-4)22(30-2)19(26)12-14/h5,9-12,20H,6-8H2,1-4H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2844
PNG
(Alkenyldiarylmethane (ADAM) 12c | Methyl 3,3-Dichl...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#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/C26H28Cl2O8/c1-32-22(29)10-8-6-7-9-17(15-11-18(25(30)35-4)23(33-2)20(27)13-15)16-12-19(26(31)36-5)24(34-3)21(28)14-16/h9,11-14H,6-8,10H2,1-5H3
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n/an/a 3.35E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2843
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]=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H24Cl2O7/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/h8-13H,5-7H2,1-4H3
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n/an/a 4.20E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2843
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]=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H24Cl2O7/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/h8-13H,5-7H2,1-4H3
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n/an/a 4.90E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2838
PNG
(Alkenyldiarylmethane (ADAM) 5c | Methyl 3,3-Dichlo...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C24H24Cl2O8/c1-30-20(27)8-6-7-15(13-9-16(23(28)33-4)21(31-2)18(25)11-13)14-10-17(24(29)34-5)22(32-3)19(26)12-14/h7,9-12H,6,8H2,1-5H3
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n/an/a 7.20E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2763
PNG
(3,3-Difluoro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(F)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(F)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C25H28F2O6/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 1.00E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2839
PNG
(6-Bromo-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]-[#6]-[#6]Br)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25BrCl2O6/c1-30-21-17(23(28)32-3)10-14(12-19(21)26)16(8-6-5-7-9-25)15-11-18(24(29)33-4)22(31-2)20(27)13-15/h8,10-13H,5-7,9H2,1-4H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2837
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]-1-[#8]-[#6]-[#6]-[#8]-1)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H24Cl2O8/c1-29-21-16(23(27)31-3)9-13(11-18(21)25)15(5-6-20-33-7-8-34-20)14-10-17(24(28)32-4)22(30-2)19(26)12-14/h5,9-12,20H,6-8H2,1-4H3
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n/an/a 2.05E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2846
PNG
((3-chloro-5-{1-[3-chloro-5-(hydroxymethyl)-4-metho...)
Show SMILES CCC(CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 |w:6.5|
Show InChI InChI=1S/C27H34Cl2O6/c1-4-17(27-34-9-10-35-27)7-5-6-8-22(18-11-20(15-30)25(32-2)23(28)13-18)19-12-21(16-31)26(33-3)24(29)14-19/h8,11-14,17,27,30-31H,4-7,9-10,15-16H2,1-3H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2847
PNG
(3,3-Dichloro-4,4-dimethoxy-5-formyl-5-hydroxymethy...)
Show SMILES CCC(CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(C=O)c1)C1OCCO1 |w:6.5|
Show InChI InChI=1S/C27H32Cl2O6/c1-4-17(27-34-9-10-35-27)7-5-6-8-22(18-11-20(15-30)25(32-2)23(28)13-18)19-12-21(16-31)26(33-3)24(29)14-19/h8,11-15,17,27,31H,4-7,9-10,16H2,1-3H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2840
PNG
(3,3,6-Trichloro-4,4-dimethoxy-5,5-bis(methoxycarbo...)
Show SMILES [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]Cl)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25Cl3O6/c1-30-21-17(23(28)32-3)10-14(12-19(21)26)16(8-6-5-7-9-25)15-11-18(24(29)33-4)22(31-2)20(27)13-15/h8,10-13H,5-7,9H2,1-4H3
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n/an/a 7.00E+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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2848
PNG
(Alkenyldiarylmethane (ADAM) 25c | Methyl 3,3-Dichl...)
Show SMILES COC(=O)CCCCC(c1cc(Cl)c(OC)c(c1)C(=O)OC)c1cc(Cl)c(OC)c(c1)C(=O)OC
Show InChI InChI=1S/C25H28Cl2O8/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/h10-13,16H,6-9H2,1-5H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2836
PNG
(Alkenyldiarylmethane (ADAM) 3c | Methyl 3,3-Dichlo...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C23H22Cl2O8/c1-29-19(26)7-6-14(12-8-15(22(27)32-4)20(30-2)17(24)10-12)13-9-16(23(28)33-5)21(31-3)18(25)11-13/h6,8-11H,7H2,1-5H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)
BDBM2838
PNG
(Alkenyldiarylmethane (ADAM) 5c | Methyl 3,3-Dichlo...)
Show SMILES [#6]-[#8]-[#6](=O)-[#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/C24H24Cl2O8/c1-30-20(27)8-6-7-15(13-9-16(23(28)33-4)21(31-2)18(25)11-13)14-10-17(24(29)34-5)22(32-3)19(26)12-14/h7,9-12H,6,8H2,1-5H3
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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 42: 4861-74 (1999)


Article DOI: 10.1021/jm990343b
BindingDB Entry DOI: 10.7270/Q2J67F4G
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50002665
PNG
((10R,11S)-6,6,10,11-Tetramethyl-4-propyl-10,11-dih...)
Show SMILES CCCc1cc(=O)oc2c3C(=O)[C@@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50002662
PNG
((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50057014
PNG
((10R,12R)-12-Hydroxy-6,6,10,11,11-pentamethyl-4-pr...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)C(C)(C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-7-8-13-11-15(24)27-20-16(13)19-14(9-10-22(3,4)28-19)18-17(20)21(25)23(5,6)12(2)26-18/h9-12,21,25H,7-8H2,1-6H3/t12-,21+/m1/s1
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n/an/an/an/a 3.20E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50054452
PNG
((10R,11R)-6,6,10,11-Tetramethyl-4-propyl-10,11-dih...)
Show SMILES CCCc1cc(=O)oc2c3C(=O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50057028
PNG
((11S,12S)-12-Hydroxy-6,6,11-trimethyl-4-propyl-11,...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)COc3c3C=CC(C)(C)Oc3c12 |c:19|
Show InChI InChI=1S/C21H24O5/c1-5-6-12-9-14(22)25-20-15(12)19-13(7-8-21(3,4)26-19)18-16(20)17(23)11(2)10-24-18/h7-9,11,17,23H,5-6,10H2,1-4H3/t11-,17-/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50057037
PNG
((11R,12R)-12-Hydroxy-6,6,10,10,11-pentamethyl-4-pr...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@@H](C)C(C)(C)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-7-8-13-11-15(24)26-21-16(13)19-14(9-10-22(3,4)27-19)20-17(21)18(25)12(2)23(5,6)28-20/h9-12,18,25H,7-8H2,1-6H3/t12-,18-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50057029
PNG
((10R,11S,12S)-10-Ethyl-12-hydroxy-6,6,11-trimethyl...)
Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-6-8-13-11-16(24)27-22-17(13)21-14(9-10-23(4,5)28-21)20-18(22)19(25)12(3)15(7-2)26-20/h9-12,15,19,25H,6-8H2,1-5H3/t12-,15-,19+/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50057030
PNG
((10R,11S,12R)-10-Ethyl-12-hydroxy-6,6,11-trimethyl...)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](CC)Oc3c3C=CC(C)(C)Oc3c12 |c:21|
Show InChI InChI=1S/C23H28O5/c1-6-8-13-11-16(24)27-22-17(13)21-14(9-10-23(4,5)28-21)20-18(22)19(25)12(3)15(7-2)26-20/h9-12,15,19,25H,6-8H2,1-5H3/t12-,15-,19-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer


J Med Chem 40: 1005-17 (1997)


Article DOI: 10.1021/jm960355m
BindingDB Entry DOI: 10.7270/Q2N015NG
More data for this
Ligand-Target Pair