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PubMed code 10617082

Compile data set for download or QSAR
Found 15 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50078263
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-fluoro-phenyl)-et...)
Show SMILES Fc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H13BrFN3S/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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n/an/a 600n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071411
PNG
(1-(5-Bromo-pyridin-2-yl)-3-(2-piperidin-1-yl-ethyl...)
Show SMILES Brc1ccc(NC(=S)NCCN2CCCCC2)nc1
Show InChI InChI=1S/C13H19BrN4S/c14-11-4-5-12(16-10-11)17-13(19)15-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2,(H2,15,16,17,19)
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n/an/a 600n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083679
PNG
(1-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(5-bromo-pyrid...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccc3OCOc3c2)nc1
Show InChI InChI=1S/C15H14BrN3O2S/c16-11-2-4-14(18-8-11)19-15(22)17-6-5-10-1-3-12-13(7-10)21-9-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19,22)
PDB
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n/an/a 700n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083680
PNG
(1-(5-Bromo-pyridin-2-yl)-3-(2-thiophen-2-yl-ethyl)...)
Show SMILES Brc1ccc(NC(=S)NCCc2cccs2)nc1
Show InChI InChI=1S/C12H12BrN3S2/c13-9-3-4-11(15-8-9)16-12(17)14-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H2,14,15,16,17)
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n/an/a 800n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2337
PNG
(6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...)
Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
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n/an/a 800n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2151
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(1H-indol-3-yl)ethyl]...)
Show SMILES Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1
Show InChI InChI=1S/C16H15BrN4S/c17-12-5-6-15(20-10-12)21-16(22)18-8-7-11-9-19-14-4-2-1-3-13(11)14/h1-6,9-10,19H,7-8H2,(H2,18,20,21,22)
PDB
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n/an/a 900n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083678
PNG
(1-(5-Bromo-pyridin-2-yl)-3-(2-furan-2-yl-ethyl)-th...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccco2)nc1
Show InChI InChI=1S/C12H12BrN3OS/c13-9-3-4-11(15-8-9)16-12(18)14-6-5-10-2-1-7-17-10/h1-4,7-8H,5-6H2,(H2,14,15,16,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083683
PNG
(1-(5-Bromo-pyridin-2-yl)-3-(2-pyrrolidin-1-yl-ethy...)
Show SMILES Brc1ccc(NC(=S)NCCN2CCCC2)nc1
Show InChI InChI=1S/C12H17BrN4S/c13-10-3-4-11(15-9-10)16-12(18)14-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H2,14,15,16,18)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
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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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083682
PNG
(1-(5-Bromo-pyridin-2-yl)-3-(2-morpholin-4-yl-ethyl...)
Show SMILES Brc1ccc(NC(=S)NCCN2CCOCC2)nc1
Show InChI InChI=1S/C12H17BrN4OS/c13-10-1-2-11(15-9-10)16-12(19)14-3-4-17-5-7-18-8-6-17/h1-2,9H,3-8H2,(H2,14,15,16,19)
PDB
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083684
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(1-methyl-pyrrolidin...)
Show SMILES CN1CCCC1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H19BrN4S/c1-18-8-2-3-11(18)6-7-15-13(19)17-12-5-4-10(14)9-16-12/h4-5,9,11H,2-3,6-8H2,1H3,(H2,15,16,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50083681
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(1H-imidazol-4-yl)-e...)
Show SMILES Brc1ccc(NC(=S)NCCc2cnc[nH]2)nc1
Show InChI InChI=1S/C11H12BrN5S/c12-8-1-2-10(15-5-8)17-11(18)14-4-3-9-6-13-7-16-9/h1-2,5-7H,3-4H2,(H,13,16)(H2,14,15,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system


Bioorg Med Chem Lett 9: 3411-6 (2000)

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