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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 405   
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 [600-1027,P835L]/[600-1155,P835L]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 28n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 28n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 33n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 44n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 50n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 90n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N]


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 97n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 98n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 100n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2018
PNG
(2-(5-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccncc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(5-4-9-23-19)21(28)26(2)18-7-6-17(25-20(18)27)15-12-24-16-8-10-22-11-14(15)16/h4-12,24H,3H2,1-2H3
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n/an/a 130n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 200n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2020
PNG
(2-(7-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
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n/an/a 200n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2020
PNG
(2-(7-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
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n/an/a 210n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2018
PNG
(2-(5-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccncc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(5-4-9-23-19)21(28)26(2)18-7-6-17(25-20(18)27)15-12-24-16-8-10-22-11-14(15)16/h4-12,24H,3H2,1-2H3
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n/an/a 222n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 228n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 230n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 384n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 404n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2016
PNG
(2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C22H18FN5O/c1-3-28-20-14(5-4-10-24-20)22(29)27(2)19-9-8-18(26-21(19)28)16-12-25-17-7-6-13(23)11-15(16)17/h4-12,25H,3H2,1-2H3
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n/an/a 555n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2016
PNG
(2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C22H18FN5O/c1-3-28-20-14(5-4-10-24-20)22(29)27(2)19-9-8-18(26-21(19)28)16-12-25-17-7-6-13(23)11-15(16)17/h4-12,25H,3H2,1-2H3
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n/an/a 706n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 730n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 935n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2020
PNG
(2-(7-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
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n/an/a 1.30E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A]


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2016
PNG
(2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C22H18FN5O/c1-3-28-20-14(5-4-10-24-20)22(29)27(2)19-9-8-18(26-21(19)28)16-12-25-17-7-6-13(23)11-15(16)17/h4-12,25H,3H2,1-2H3
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)
BDBM2017
PNG
(2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2017
PNG
(2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L]


(Human immunodeficiency virus type 1)
BDBM2018
PNG
(2-(5-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccncc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(5-4-9-23-19)21(28)26(2)18-7-6-17(25-20(18)27)15-12-24-16-8-10-22-11-14(15)16/h4-12,24H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
PubMed
n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)
BDBM2017
PNG
(2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair