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PubMed code 1712395

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1517
PNG
(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/a 35n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1646
PNG
(2-ethyl-10,12,13-trimethyl-2,4,10-triazatricyclo[9...)
Show SMILES CCN1c2ccc(C)c(C)c2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C17H19N3O/c1-5-20-14-9-8-11(2)12(3)15(14)19(4)17(21)13-7-6-10-18-16(13)20/h6-10H,5H2,1-4H3
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n/an/a 36n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1639
PNG
(2-ethyl-12-methyl-2,4,10-triazatricyclo[9.4.0.0^{3...)
Show SMILES CCN1c2cccc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C15H15N3O/c1-3-18-12-8-4-6-10(2)13(12)17-15(19)11-7-5-9-16-14(11)18/h4-9H,3H2,1-2H3,(H,17,19)
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n/an/a 38n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1644
PNG
(2-ethyl-10,13,14-trimethyl-2,4,10-triazatricyclo[9...)
Show SMILES CCN1c2cc(C)c(C)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C17H19N3O/c1-5-20-15-10-12(3)11(2)9-14(15)19(4)17(21)13-7-6-8-18-16(13)20/h6-10H,5H2,1-4H3
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n/an/a 40n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1647
PNG
(13,14-dichloro-2-ethyl-10-methyl-2,4,10-triazatric...)
Show SMILES CCN1c2cc(Cl)c(Cl)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H13Cl2N3O/c1-3-20-13-8-11(17)10(16)7-12(13)19(2)15(21)9-5-4-6-18-14(9)20/h4-8H,3H2,1-2H3
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n/an/a 62n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 84n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1666
PNG
(7-chloro-2-ethyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2nccc(Cl)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C13H11ClN4O/c1-2-18-11-8(4-3-6-15-11)13(19)17-10-9(14)5-7-16-12(10)18/h3-7H,2H2,1H3,(H,17,19)
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n/an/a 95n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1667
PNG
(2,7-diethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8...)
Show SMILES CCN1c2nccc(CC)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O/c1-3-10-7-9-17-14-12(10)18-15(20)11-6-5-8-16-13(11)19(14)4-2/h5-9H,3-4H2,1-2H3,(H,18,20)
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1518
PNG
(2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(6-4-8-15-12)14(19)17(2)11-7-5-9-16-13(11)18/h4-9H,3H2,1-2H3
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n/an/a 125n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1643
PNG
(14-azido-2-ethyl-10-methyl-2,4,10-triazatricyclo[9...)
Show SMILES CCn1c2cc(ccc2[n+](C)c(=O)c2cccnc12)=NN=[N-]
Show InChI InChI=1S/C15H14N6O/c1-3-21-13-9-10(18-19-16)6-7-12(13)20(2)15(22)11-5-4-8-17-14(11)21/h4-9H,3H2,1-2H3
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n/an/a 140n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1529
PNG
(5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-8-16-12)14(20)18(2)10-6-7-11(15)17-13(10)19/h4-8H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1521
PNG
(2-ethyl-5,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...)
Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-9-16-13)15(20)18(3)12-8-7-10(2)17-14(12)19/h5-9H,4H2,1-3H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1649
PNG
(14-chloro-2-ethyl-10-methyl-2,4,10-triazatricyclo[...)
Show SMILES CCN1c2cc(Cl)ccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H14ClN3O/c1-3-19-13-9-10(16)6-7-12(13)18(2)15(20)11-5-4-8-17-14(11)19/h4-9H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1653
PNG
(13-chloro-2-ethyl-10-methyl-2,4,10-triazatricyclo[...)
Show SMILES CCN1c2ccc(Cl)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H14ClN3O/c1-3-19-12-7-6-10(16)9-13(12)18(2)15(20)11-5-4-8-17-14(11)19/h4-9H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1640
PNG
(2-ethyl-10,13-dimethyl-2,4,10-triazatricyclo[9.4.0...)
Show SMILES CCN1c2ccc(C)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-4-19-13-8-7-11(2)10-14(13)18(3)16(20)12-6-5-9-17-15(12)19/h5-10H,4H2,1-3H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1636
PNG
(10-methyl-2-(propan-2-yl)-2,4,10-triazatricyclo[9....)
Show SMILES CC(C)N1c2ccccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-11(2)19-14-9-5-4-8-13(14)18(3)16(20)12-7-6-10-17-15(12)19/h4-11H,1-3H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1641
PNG
(2-ethyl-10-methyl-14-(trifluoromethyl)-2,4,10-tria...)
Show SMILES CCN1c2cc(ccc2N(C)C(=O)c2cccnc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-3-22-13-9-10(16(17,18)19)6-7-12(13)21(2)15(23)11-5-4-8-20-14(11)22/h4-9H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1635
PNG
(10-methyl-2-propyl-2,4,10-triazatricyclo[9.4.0.0^{...)
Show SMILES CCCN1c2ccccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-3-11-19-14-9-5-4-8-13(14)18(2)16(20)12-7-6-10-17-15(12)19/h4-10H,3,11H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1638
PNG
(2-ethyl-10,12-dimethyl-2,4,10-triazatricyclo[9.4.0...)
Show SMILES CCN1c2cccc(C)c2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-4-19-13-9-5-7-11(2)14(13)18(3)16(20)12-8-6-10-17-15(12)19/h5-10H,4H2,1-3H3
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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)

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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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1648
PNG
(12-chloro-2-ethyl-10-methyl-14-(trifluoromethyl)-2...)
Show SMILES CCN1c2cc(cc(Cl)c2N(C)C(=O)c2cccnc12)C(F)(F)F
Show InChI InChI=1S/C16H13ClF3N3O/c1-3-23-12-8-9(16(18,19)20)7-11(17)13(12)22(2)15(24)10-5-4-6-21-14(10)23/h4-8H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1633
PNG
(2-ethyl-10-methyl-2,4,10-triazatricyclo[9.4.0.0^{3...)
Show SMILES CCN1c2ccccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H15N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h4-10H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1659
PNG
(9-acetyl-2-ethyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ncccc2N(C(C)=O)C(=O)c2cccnc12
Show InChI InChI=1S/C15H14N4O2/c1-3-18-13-11(6-4-8-16-13)15(21)19(10(2)20)12-7-5-9-17-14(12)18/h4-9H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1634
PNG
(2,10-diethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]p...)
Show SMILES CCN1c2ccccc2N(CC)C(=O)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-3-18-13-9-5-6-10-14(13)19(4-2)16(20)12-8-7-11-17-15(12)18/h5-11H,3-4H2,1-2H3
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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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1632
PNG
(2-ethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentad...)
Show SMILES CCN1c2ccccc2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H13N3O/c1-2-17-12-8-4-3-7-11(12)16-14(18)10-6-5-9-15-13(10)17/h3-9H,2H2,1H3,(H,16,18)
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n/an/a 380n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1642
PNG
(2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo[9...)
Show SMILES CCN1c2cc(ccc2N(C)C(=O)c2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
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n/an/a 400n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1645
PNG
(2-acetyl-10,13,14-trimethyl-2,4,10-triazatricyclo[...)
Show SMILES CN1c2cc(C)c(C)cc2N(C(C)=O)c2ncccc2C1=O
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-15(9-11(10)2)20(12(3)21)16-13(6-5-7-18-16)17(22)19(14)4/h5-9H,1-4H3
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n/an/a 420n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1655
PNG
(2-cyclobutyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,...)
Show SMILES O=C1Nc2cccnc2N(C2CCC2)c2ncccc12
Show InChI InChI=1S/C15H14N4O/c20-15-11-6-2-8-16-13(11)19(10-4-1-5-10)14-12(18-15)7-3-9-17-14/h2-3,6-10H,1,4-5H2,(H,18,20)
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n/an/a 430n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1651
PNG
(2-ethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pe...)
Show SMILES CCN1c2ncccc2NC(=O)c2cccnc12
Show InChI InChI=1S/C13H12N4O/c1-2-17-11-9(5-3-7-14-11)13(18)16-10-6-4-8-15-12(10)17/h3-8H,2H2,1H3,(H,16,18)
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n/an/a 440n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1656
PNG
(9-methyl-2-propyl-2,4,9,15-tetraazatricyclo[9.4.0....)
Show SMILES CCCN1c2ncccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O/c1-3-10-19-13-11(6-4-8-16-13)15(20)18(2)12-7-5-9-17-14(12)19/h4-9H,3,10H2,1-2H3
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n/an/a 450n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1652
PNG
(2-cyclopropyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3...)
Show SMILES O=C1Nc2cccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C14H12N4O/c19-14-10-3-1-7-15-12(10)18(9-5-6-9)13-11(17-14)4-2-8-16-13/h1-4,7-9H,5-6H2,(H,17,19)
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n/an/a 450n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1671
PNG
(2-ethyl-9-methyl-2,4,9-triazatricyclo[9.4.0.0^{3,8...)
Show SMILES CCN1c2ccccc2C(=O)N(C)c2cccnc12
Show InChI InChI=1S/C15H15N3O/c1-3-18-12-8-5-4-7-11(12)15(19)17(2)13-9-6-10-16-14(13)18/h4-10H,3H2,1-2H3
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n/an/a 500n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1673
PNG
(2-ethyl-9,13-dimethyl-2,4,9-triazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ccc(C)cc2C(=O)N(C)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-4-19-13-8-7-11(2)10-12(13)16(20)18(3)14-6-5-9-17-15(14)19/h5-10H,4H2,1-3H3
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n/an/a 580n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1657
PNG
(2-(propan-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^...)
Show SMILES CC(C)N1c2ncccc2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-9(2)18-12-10(5-3-7-15-12)14(19)17-11-6-4-8-16-13(11)18/h3-9H,1-2H3,(H,17,19)
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n/an/a 590n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1674
PNG
(2,9-diethyl-15-methyl-2,4,9-triazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ncccc2N(CC)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C17H19N3O/c1-4-19-14-10-7-11-18-16(14)20(5-2)15-12(3)8-6-9-13(15)17(19)21/h6-11H,4-5H2,1-3H3
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n/an/a 650n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1637
PNG
(2-ethynyl-10-methyl-2,4,10-triazatricyclo[9.4.0.0^...)
Show SMILES CN1c2ccccc2N(C#C)c2ncccc2C1=O
Show InChI InChI=1S/C15H11N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h1,4-10H,2H3
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n/an/a 650n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1672
PNG
(2,9-diethyl-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pen...)
Show SMILES CCN1c2ccccc2C(=O)N(CC)c2cccnc12
Show InChI InChI=1S/C16H17N3O/c1-3-18-13-9-6-5-8-12(13)16(20)19(4-2)14-10-7-11-17-15(14)18/h5-11H,3-4H2,1-2H3
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n/an/a 690n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1663
PNG
(2-ethyl-6,9-dimethyl-2,4,9,15-tetraazatricyclo[9.4...)
Show SMILES CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18(3)12-8-10(2)9-17-14(12)19/h5-9H,4H2,1-3H3
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n/an/a 760n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1670
PNG
(5-amino-6-chloro-2-ethyl-9-methyl-2,4,9,15-tetraaz...)
Show SMILES CCN1c2nc(N)c(Cl)cc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14ClN5O/c1-3-20-12-8(5-4-6-17-12)14(21)19(2)10-7-9(15)11(16)18-13(10)20/h4-7H,3H2,1-2H3,(H2,16,18)
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n/an/a 850n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1660
PNG
(9-methyl-2-[(methylsulfanyl)methyl]-2,4,9,15-tetra...)
Show SMILES CSCN1c2ncccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4OS/c1-17-11-6-4-8-16-13(11)18(9-20-2)12-10(14(17)19)5-3-7-15-12/h3-8H,9H2,1-2H3
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n/an/a 850n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1658
PNG
(11-Allyl-5,ll-dihydro-5-methyl-6H-dipyrido[3,2- b:...)
Show SMILES CN1c2cccnc2N(CC=C)c2ncccc2C1=O
Show InChI InChI=1S/C15H14N4O/c1-3-10-19-13-11(6-4-8-16-13)15(20)18(2)12-7-5-9-17-14(12)19/h3-9H,1,10H2,2H3
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n/an/a 850n/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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1654
PNG
(6-bromo-2-ethyl-10-methyl-14-nitro-2,4,10-triazatr...)
Show SMILES CCN1c2cc(ccc2N(C)C(=O)c2cc(Br)cnc12)[N+]([O-])=O
Show InChI InChI=1S/C15H13BrN4O3/c1-3-19-13-7-10(20(22)23)4-5-12(13)18(2)15(21)11-6-9(16)8-17-14(11)19/h4-8H,3H2,1-2H3
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n/an/a 890n/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 34: 2231-41 (1991)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%