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17 similar compounds to monomer 1644

Compile data set for download or QSAR
Wt: 321.2
BDBM1641
Wt: 295.3
BDBM1645
Wt: 281.3
BDBM1646
Wt: 322.1
BDBM1647
Wt: 287.7
BDBM1649
Wt: 287.7
BDBM1653
Wt: 268.3
BDBM1663
Wt: 239.2
BDBM1632
Wt: 253.2
BDBM1633
Wt: 267.3
BDBM1634
Wt: 267.3
BDBM1635
Wt: 267.3
BDBM1636
Wt: 249.2
BDBM1637
Wt: 267.3
BDBM1638
Wt: 253.2
BDBM1639
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 1641,1645,1646,1647,1649,1653,1663,1632,1633,1634,1635,1636,1637,1638,1639   
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)
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)


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)
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

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


(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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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)


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)
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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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 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)
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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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 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)
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)


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)
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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n/an/a 240n/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)


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)
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)


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)
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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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 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)
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)


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)
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)


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)
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)


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)
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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n/an/a 170n/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)


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)
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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n/an/a 170n/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)


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)
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)


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)
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



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
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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n/an/a 350n/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)


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