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30 similar compounds to monomer 1562

Compile data set for download or QSAR
Wt: 282.3
BDBM1669
Wt: 268.3
BDBM1668
Wt: 320.3
BDBM1551
Wt: 319.3
BDBM1552
Wt: 319.3
BDBM1553
Wt: 331.3
BDBM1554
Wt: 336.4
BDBM1556
Wt: 337.3
BDBM1558
Wt: 320.3
BDBM1561
Wt: 332.3
BDBM1563
Wt: 330.3
BDBM1564
Wt: 360.4
BDBM1566
Wt: 346.3
BDBM1567
Wt: 345.3
BDBM1568
Wt: 360.4
BDBM1569
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 1669,1668,1551,1552,1553,1554,1556,1558,1561,1563,1564,1566,1567,1568,1569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1568
PNG
(5,11-dihydro-11-ethyl-5-methyl-2-(3-aminophenyl)-6...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1
Show InChI InChI=1S/C20H19N5O/c1-3-25-18-15(8-5-11-22-18)20(26)24(2)17-10-9-16(23-19(17)25)13-6-4-7-14(21)12-13/h4-12H,3,21H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro for inhibition of HIV-1 reverse transcriptase.


J Med Chem 38: 1406-10 (1995)


Article DOI: 10.1021/jm00008a019
BindingDB Entry DOI: 10.7270/Q2MG7NJQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L)


(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
HIV-1 Reverse Transcriptase Mutant (K103N)


(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
HIV-1 Reverse Transcriptase Mutant (V106A)


(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
HIV-1 Reverse Transcriptase Mutant (G190A)


(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
HIV-1 Reverse Transcriptase Mutant (P236L)


(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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1551
PNG
(2-ethyl-5-(furan-3-yl)-9-methyl-2,4,9,15-tetraazat...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccoc1
Show InChI InChI=1S/C18H16N4O2/c1-3-22-16-13(5-4-9-19-16)18(23)21(2)15-7-6-14(20-17(15)22)12-8-10-24-11-12/h4-11H,3H2,1-2H3
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n/an/a 40n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1552
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc[nH]1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-12(6-4-11-20-16)18(24)22(2)15-9-8-14(21-17(15)23)13-7-5-10-19-13/h4-11,19H,3H2,1-2H3
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n/an/a 70n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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 30n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1554
PNG
(2-cyclopropyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1
Show InChI InChI=1S/C19H17N5O/c1-23-16-7-6-15(12-8-10-20-11-12)22-18(16)24(13-4-5-13)17-14(19(23)25)3-2-9-21-17/h2-3,6-11,13,20H,4-5H2,1H3
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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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1556
PNG
(2-ethyl-9-methyl-5-(thiophen-3-yl)-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccsc1
Show InChI InChI=1S/C18H16N4OS/c1-3-22-16-13(5-4-9-19-16)18(23)21(2)15-7-6-14(20-17(15)22)12-8-10-24-11-12/h4-11H,3H2,1-2H3
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n/an/a 100n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1558
PNG
(2-ethyl-9-methyl-5-(1,3-thiazol-5-yl)-2,4,9,15-tet...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cncs1
Show InChI InChI=1S/C17H15N5OS/c1-3-22-15-11(5-4-8-19-15)17(23)21(2)13-7-6-12(20-16(13)22)14-9-18-10-24-14/h4-10H,3H2,1-2H3
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n/an/a 100n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1551
PNG
(2-ethyl-5-(furan-3-yl)-9-methyl-2,4,9,15-tetraazat...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccoc1
Show InChI InChI=1S/C18H16N4O2/c1-3-22-16-13(5-4-9-19-16)18(23)21(2)15-7-6-14(20-17(15)22)12-8-10-24-11-12/h4-11H,3H2,1-2H3
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n/an/a 110n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1552
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc[nH]1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-12(6-4-11-20-16)18(24)22(2)15-9-8-14(21-17(15)23)13-7-5-10-19-13/h4-11,19H,3H2,1-2H3
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n/an/a 70n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(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 40n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1554
PNG
(2-cyclopropyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1
Show InChI InChI=1S/C19H17N5O/c1-23-16-7-6-15(12-8-10-20-11-12)22-18(16)24(13-4-5-13)17-14(19(23)25)3-2-9-21-17/h2-3,6-11,13,20H,4-5H2,1H3
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n/an/a 60n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1556
PNG
(2-ethyl-9-methyl-5-(thiophen-3-yl)-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccsc1
Show InChI InChI=1S/C18H16N4OS/c1-3-22-16-13(5-4-9-19-16)18(23)21(2)15-7-6-14(20-17(15)22)12-8-10-24-11-12/h4-11H,3H2,1-2H3
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n/an/a 300n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1558
PNG
(2-ethyl-9-methyl-5-(1,3-thiazol-5-yl)-2,4,9,15-tet...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cncs1
Show InChI InChI=1S/C17H15N5OS/c1-3-22-15-11(5-4-8-19-15)17(23)21(2)13-7-6-12(20-16(13)22)14-9-18-10-24-14/h4-10H,3H2,1-2H3
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n/an/a 240n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1561
PNG
(2-ethyl-9-methyl-5-(1H-pyrazol-3-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]n1
Show InChI InChI=1S/C17H16N6O/c1-3-23-15-11(5-4-9-18-15)17(24)22(2)14-7-6-12(20-16(14)23)13-8-10-19-21-13/h4-10H,3H2,1-2H3,(H,19,21)
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n/an/a 390n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1563
PNG
(2-cyclopropyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,1...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1
Show InChI InChI=1S/C18H16N6O/c1-23-15-7-6-14(11-9-20-21-10-11)22-17(15)24(12-4-5-12)16-13(18(23)25)3-2-8-19-16/h2-3,6-10,12H,4-5H2,1H3,(H,20,21)
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n/an/a 60n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1564
PNG
(2-ethyl-9-methyl-5-phenyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-3-24-18-15(10-7-13-21-18)20(25)23(2)17-12-11-16(22-19(17)24)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
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n/an/a 230n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1566
PNG
(2-ethyl-5-(3-methoxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-16(9-6-12-22-19)21(26)24(2)18-11-10-17(23-20(18)25)14-7-5-8-15(13-14)27-3/h5-13H,4H2,1-3H3
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n/an/a 150n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1567
PNG
(2-ethyl-5-(3-hydroxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O2/c1-3-24-18-15(8-5-11-21-18)20(26)23(2)17-10-9-16(22-19(17)24)13-6-4-7-14(25)12-13/h4-12,25H,3H2,1-2H3
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n/an/a 100n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1568
PNG
(5,11-dihydro-11-ethyl-5-methyl-2-(3-aminophenyl)-6...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1
Show InChI InChI=1S/C20H19N5O/c1-3-25-18-15(8-5-11-22-18)20(26)24(2)17-10-9-16(23-19(17)25)13-6-4-7-14(21)12-13/h4-12H,3,21H2,1-2H3
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n/an/a 70n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1569
PNG
(2-ethyl-5-(4-methoxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-16(6-5-13-22-19)21(26)24(2)18-12-11-17(23-20(18)25)14-7-9-15(27-3)10-8-14/h5-13H,4H2,1-3H3
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n/an/a 1.40E+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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1561
PNG
(2-ethyl-9-methyl-5-(1H-pyrazol-3-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]n1
Show InChI InChI=1S/C17H16N6O/c1-3-23-15-11(5-4-9-18-15)17(24)22(2)14-7-6-12(20-16(14)23)13-8-10-19-21-13/h4-10H,3H2,1-2H3,(H,19,21)
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n/an/a 290n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1563
PNG
(2-cyclopropyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,1...)
Show SMILES CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1
Show InChI InChI=1S/C18H16N6O/c1-23-15-7-6-14(11-9-20-21-10-11)22-17(15)24(12-4-5-12)16-13(18(23)25)3-2-8-19-16/h2-3,6-10,12H,4-5H2,1H3,(H,20,21)
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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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1564
PNG
(2-ethyl-9-methyl-5-phenyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-3-24-18-15(10-7-13-21-18)20(25)23(2)17-12-11-16(22-19(17)24)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3
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n/an/a 1.40E+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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1566
PNG
(2-ethyl-5-(3-methoxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-16(9-6-12-22-19)21(26)24(2)18-11-10-17(23-20(18)25)14-7-5-8-15(13-14)27-3/h5-13H,4H2,1-3H3
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n/an/a 210n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1567
PNG
(2-ethyl-5-(3-hydroxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O2/c1-3-24-18-15(8-5-11-21-18)20(26)23(2)17-10-9-16(22-19(17)24)13-6-4-7-14(25)12-13/h4-12,25H,3H2,1-2H3
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n/an/a 180n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1568
PNG
(5,11-dihydro-11-ethyl-5-methyl-2-(3-aminophenyl)-6...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1
Show InChI InChI=1S/C20H19N5O/c1-3-25-18-15(8-5-11-22-18)20(26)24(2)17-10-9-16(23-19(17)25)13-6-4-7-14(21)12-13/h4-12H,3,21H2,1-2H3
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n/an/a 560n/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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1569
PNG
(2-ethyl-5-(4-methoxyphenyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-16(6-5-13-22-19)21(26)24(2)18-12-11-17(23-20(18)25)14-7-9-15(27-3)10-8-14/h5-13H,4H2,1-3H3
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n/an/a 3.20E+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 38: 4830-8 (1995)


Article DOI: 10.1021/jm00024a010
BindingDB Entry DOI: 10.7270/Q23B5XBJ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1668
PNG
(2-ethyl-5,6-dimethyl-2,4,9,15-tetraazatricyclo[9.4...)
Show SMILES CCN1c2nc(C)c(C)cc2NC(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18-12-8-9(2)10(3)17-14(12)19/h5-8H,4H2,1-3H3,(H,18,20)
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n/an/a 410n/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 34: 2231-41 (1991)


Article DOI: 10.1021/jm00111a045
BindingDB Entry DOI: 10.7270/Q2TT4P4X
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1669
PNG
(2-ethyl-5,6,9-trimethyl-2,4,9,15-tetraazatricyclo[...)
Show SMILES CCN1c2nc(C)c(C)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H18N4O/c1-5-20-14-12(7-6-8-17-14)16(21)19(4)13-9-10(2)11(3)18-15(13)20/h6-9H,5H2,1-4H3
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n/an/a 240n/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 34: 2231-41 (1991)


Article DOI: 10.1021/jm00111a045
BindingDB Entry DOI: 10.7270/Q2TT4P4X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1669
PNG
(2-ethyl-5,6,9-trimethyl-2,4,9,15-tetraazatricyclo[...)
Show SMILES CCN1c2nc(C)c(C)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H18N4O/c1-5-20-14-12(7-6-8-17-14)16(21)19(4)13-9-10(2)11(3)18-15(13)20/h6-9H,5H2,1-4H3
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n/an/a 240n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro for inhibition of HIV-1 reverse transcriptase.


J Med Chem 38: 1406-10 (1995)


Article DOI: 10.1021/jm00008a019
BindingDB Entry DOI: 10.7270/Q2MG7NJQ
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(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