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32 similar compounds to monomer 1539

Compile data set for download or QSAR
Wt: 266.2
BDBM1434
Purchase
Wt: 240.2
BDBM1651
Wt: 254.2
BDBM1657
Wt: 268.3
BDBM1663
Wt: 268.3
BDBM1667
Wt: 288.7
BDBM1528
Wt: 283.3
BDBM1533
Wt: 297.3
BDBM1534
Wt: 309.3
BDBM1535
Wt: 313.3
BDBM1536
Wt: 327.3
BDBM1537
Wt: 297.3
BDBM1538
Wt: 323.3
BDBM1540
Wt: 337.4
BDBM1541
Wt: 355.4
BDBM1543
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 166 hits for monomerid = 1434,1651,1657,1663,1667,1528,1533,1534,1535,1536,1537,1538,1540,1541,1543   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
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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400 -9.07n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (V179D)


(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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2.00E+3n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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7.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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7.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(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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7.00E+3 -7.31n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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9.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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9.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(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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9.00E+3 -7.16n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (V106A)


(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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1.00E+4n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y188L)


(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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1.80E+4n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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1.80E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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1.80E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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3.60E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I


J Med Chem 44: 305-15 (2001)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181I)


(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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3.60E+4 -6.30n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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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3.60E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)


Article DOI: 10.1021/jm990150o
BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 200n/an/an/an/a7.837



Lilly Research Laboratories



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: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.10E+3n/an/an/an/a8.328



Upjohn



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 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(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 1.90E+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 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (P236L)


(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 80n/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 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 200n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(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 1.18E+4n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(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 2.01E+5n/an/an/an/an/an/a



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 430n/an/an/an/an/an/a



Boehringer Mannheim GmbH



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 36: 2526-35 (1993)


Article DOI: 10.1021/jm00069a011
BindingDB Entry DOI: 10.7270/Q2BR8QCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 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
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1528
PNG
(5-chloro-2-ethyl-7-methyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-6-16-12)14(20)18-11-8(2)7-10(15)17-13(11)19/h4-7H,3H2,1-2H3,(H,18,20)
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n/an/a 10n/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
HIV-1 Reverse Transcriptase Mutant (Y181C)


(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 2.60E+3n/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
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1528
PNG
(5-chloro-2-ethyl-7-methyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-6-16-12)14(20)18-11-8(2)7-10(15)17-13(11)19/h4-7H,3H2,1-2H3,(H,18,20)
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n/an/a 800n/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
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


(Human immunodeficiency virus type 1)
BDBM1538
PNG
(5-(dimethylamino)-2-ethyl-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N(C)C
Show InChI InChI=1S/C16H19N5O/c1-5-21-14-11(7-6-10-17-14)16(22)20(4)12-8-9-13(19(2)3)18-15(12)21/h6-10H,5H2,1-4H3
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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)
BDBM1540
PNG
(2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3
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n/an/a 20n/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)
BDBM1541
PNG
(2-ethyl-9-methyl-5-(piperidin-1-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-3-24-17-14(8-7-11-20-17)19(25)22(2)15-9-10-16(21-18(15)24)23-12-5-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3
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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


(Human immunodeficiency virus type 1)
BDBM1543
PNG
(2-ethyl-7-methyl-5-(thiomorpholin-4-yl)-2,4,9,15-t...)
Show SMILES CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N1CCSCC1
Show InChI InChI=1S/C18H21N5OS/c1-3-23-16-13(5-4-6-19-16)18(24)21-15-12(2)11-14(20-17(15)23)22-7-9-25-10-8-22/h4-6,11H,3,7-10H2,1-2H3,(H,21,24)
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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 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 Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1538
PNG
(5-(dimethylamino)-2-ethyl-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N(C)C
Show InChI InChI=1S/C16H19N5O/c1-5-21-14-11(7-6-10-17-14)16(22)20(4)12-8-9-13(19(2)3)18-15(12)21/h6-10H,5H2,1-4H3
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n/an/a 770n/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)
BDBM1540
PNG
(2-ethyl-9-methyl-5-(pyrrolidin-1-yl)-2,4,9,15-tetr...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1
Show InChI InChI=1S/C18H21N5O/c1-3-23-16-13(7-6-10-19-16)18(24)21(2)14-8-9-15(20-17(14)23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3
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n/an/a 3.80E+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)
BDBM1541
PNG
(2-ethyl-9-methyl-5-(piperidin-1-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-3-24-17-14(8-7-11-20-17)19(25)22(2)15-9-10-16(21-18(15)24)23-12-5-4-6-13-23/h7-11H,3-6,12-13H2,1-2H3
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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 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)
BDBM1543
PNG
(2-ethyl-7-methyl-5-(thiomorpholin-4-yl)-2,4,9,15-t...)
Show SMILES CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N1CCSCC1
Show InChI InChI=1S/C18H21N5OS/c1-3-23-16-13(5-4-6-19-16)18(24)21-15-12(2)11-14(20-17(15)23)22-7-9-25-10-8-22/h4-6,11H,3,7-10H2,1-2H3,(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)
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 80n/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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 1434,1651,1657,1663,1667,1528,1533,1534,1535,1536,1537,1538,1540,1541,1543
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Reverse transcriptase (HIV-1 RT)(1-350)

(Human immunodeficiency virus type 1)
BDBM1434
JPEG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
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-30.14.04-47.1n/an/a25



Chulalongkorn University





J Enzyme Inhib Med Chem 26: 29-36 (2011)