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47 similar compounds to monomer 1538

Compile data set for download or QSAR
Wt: 282.2
BDBM1659
Wt: 240.2
BDBM1651
Wt: 252.2
BDBM1652
Wt: 268.3
BDBM1656
Wt: 254.2
BDBM1657
Wt: 266.2
BDBM1658
Wt: 268.3
BDBM1663
Wt: 282.3
BDBM1669
Wt: 303.7
BDBM1670
Wt: 288.7
BDBM1529
Wt: 283.3
BDBM1533
Wt: 297.3
BDBM1534
Wt: 309.3
BDBM1535
Wt: 313.3
BDBM1536
Wt: 327.3
BDBM1537
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 1659,1651,1652,1656,1657,1658,1663,1669,1670,1529,1533,1534,1535,1536,1537   
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)
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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n/an/a 80n/an/an/an/a7.825



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
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)
BDBM1533
PNG
(2-ethyl-9-methyl-5-(methylamino)-2,4,9,15-tetraaza...)
Show SMILES CCN1c2nc(NC)ccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H17N5O/c1-4-20-13-10(6-5-9-17-13)15(21)19(3)11-7-8-12(16-2)18-14(11)20/h5-9H,4H2,1-3H3,(H,16,18)
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n/an/a 190n/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)
BDBM1534
PNG
(2-ethyl-5-(ethylamino)-9-methyl-2,4,9,15-tetraazat...)
Show SMILES CCNc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1
Show InChI InChI=1S/C16H19N5O/c1-4-17-13-9-8-12-15(19-13)21(5-2)14-11(7-6-10-18-14)16(22)20(12)3/h6-10H,4-5H2,1-3H3,(H,17,19)
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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)
BDBM1535
PNG
(2-ethyl-9-methyl-5-[(1E)-prop-1-en-1-ylamino]-2,4,...)
Show SMILES CCC=Nc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1
Show InChI InChI=1S/C17H19N5O/c1-4-10-18-14-9-8-13-16(20-14)22(5-2)15-12(7-6-11-19-15)17(23)21(13)3/h6-11H,4-5H2,1-3H3
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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)
BDBM1536
PNG
(2-ethyl-5-[(2-hydroxyethyl)amino]-7-methyl-2,4,9,1...)
Show SMILES CCN1c2nc(NCCO)cc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C16H19N5O2/c1-3-21-14-11(5-4-6-18-14)16(23)20-13-10(2)9-12(17-7-8-22)19-15(13)21/h4-6,9,22H,3,7-8H2,1-2H3,(H,17,19)(H,20,23)
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n/an/a 90n/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)
BDBM1537
PNG
(2-ethyl-5-[(3-hydroxypropyl)amino]-7-methyl-2,4,9,...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCCO)nc12
Show InChI InChI=1S/C17H21N5O2/c1-3-22-15-12(6-4-7-19-15)17(24)21-14-11(2)10-13(20-16(14)22)18-8-5-9-23/h4,6-7,10,23H,3,5,8-9H2,1-2H3,(H,18,20)(H,21,24)
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n/an/a 90n/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)
BDBM1533
PNG
(2-ethyl-9-methyl-5-(methylamino)-2,4,9,15-tetraaza...)
Show SMILES CCN1c2nc(NC)ccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C15H17N5O/c1-4-20-13-10(6-5-9-17-13)15(21)19(3)11-7-8-12(16-2)18-14(11)20/h5-9H,4H2,1-3H3,(H,16,18)
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n/an/a 710n/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)
BDBM1534
PNG
(2-ethyl-5-(ethylamino)-9-methyl-2,4,9,15-tetraazat...)
Show SMILES CCNc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1
Show InChI InChI=1S/C16H19N5O/c1-4-17-13-9-8-12-15(19-13)21(5-2)14-11(7-6-10-18-14)16(22)20(12)3/h6-10H,4-5H2,1-3H3,(H,17,19)
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n/an/a 1.30E+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)
BDBM1535
PNG
(2-ethyl-9-methyl-5-[(1E)-prop-1-en-1-ylamino]-2,4,...)
Show SMILES CCC=Nc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1
Show InChI InChI=1S/C17H19N5O/c1-4-10-18-14-9-8-13-16(20-14)22(5-2)15-12(7-6-11-19-15)17(23)21(13)3/h6-11H,4-5H2,1-3H3
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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 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)
BDBM1536
PNG
(2-ethyl-5-[(2-hydroxyethyl)amino]-7-methyl-2,4,9,1...)
Show SMILES CCN1c2nc(NCCO)cc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C16H19N5O2/c1-3-21-14-11(5-4-6-18-14)16(23)20-13-10(2)9-12(17-7-8-22)19-15(13)21/h4-6,9,22H,3,7-8H2,1-2H3,(H,17,19)(H,20,23)
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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 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)
BDBM1537
PNG
(2-ethyl-5-[(3-hydroxypropyl)amino]-7-methyl-2,4,9,...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCCO)nc12
Show InChI InChI=1S/C17H21N5O2/c1-3-22-15-12(6-4-7-19-15)17(24)21-14-11(2)10-13(20-16(14)22)18-8-5-9-23/h4,6-7,10,23H,3,5,8-9H2,1-2H3,(H,18,20)(H,21,24)
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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 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)
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)


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)
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)


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)
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)


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)
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)


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)
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)


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)
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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n/an/a 360n/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)
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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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 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
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
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)


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)
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



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
Human immunodeficiency virus type 1 reverse transcriptase


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


(Human immunodeficiency virus 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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n/an/a 150n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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/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
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)
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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n/an/a 210n/an/an/an/a7.825



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