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PubMed code 8831772

Compile data set for download or QSAR
Found 18 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)
BDBM1283
PNG
(3-[(1,3-benzoxazol-2-ylmethyl)amino]-5-ethyl-6-met...)
Show SMILES CCc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H17N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-8,17H,3,9H2,1-2H3,(H,18,20)
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PubMed
n/an/a 209n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1284
PNG
(3-Aminopyridin-2(1H)-one analogue 4 | 3-[(1-benzof...)
Show SMILES CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
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n/an/a 331n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1286
PNG
(3-Aminopyridin-2(1H)-one analogue 6 | 5-ethyl-6-me...)
Show SMILES CCc1cc(NCc2cnc3ccccc3c2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)
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n/an/a 339n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1287
PNG
(3-Aminopyridin-2(1H)-one analogue 7 | 3-[(1,3-benz...)
Show SMILES CCc1cc(NCc2nc3ccccc3s2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H17N3OS/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-8,17H,3,9H2,1-2H3,(H,18,20)
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n/an/a 347n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1288
PNG
(3-Aminopyridin-2(1H)-one analogue 8 | 5-ethyl-6-me...)
Show SMILES CCc1cc(NCc2ccc3ccccc3c2)c(=O)[nH]c1C
Show InChI InChI=1S/C19H20N2O/c1-3-15-11-18(19(22)21-13(15)2)20-12-14-8-9-16-6-4-5-7-17(16)10-14/h4-11,20H,3,12H2,1-2H3,(H,21,22)
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n/an/a 457n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1289
PNG
(3-Aminopyridin-2(1H)-one analogue 9 | 3-[(1-benzot...)
Show SMILES CCc1cc(NCc2cc3ccccc3s2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2OS/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
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n/an/a 501n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1290
PNG
(3-Aminopyridin-2(1H)-one analogue 10 | 5-ethyl-6-m...)
Show SMILES CCc1cc(NCc2ccc3ccccc3n2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H19N3O/c1-3-13-10-17(18(22)20-12(13)2)19-11-15-9-8-14-6-4-5-7-16(14)21-15/h4-10,19H,3,11H2,1-2H3,(H,20,22)
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n/an/a 525n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1293
PNG
(3-Aminopyridin-2(1H)-one analogue 13 | 5-ethyl-6-m...)
Show SMILES CCc1cc(NCc2cccc3ccccc23)c(=O)[nH]c1C
Show InChI InChI=1S/C19H20N2O/c1-3-14-11-18(19(22)21-13(14)2)20-12-16-9-6-8-15-7-4-5-10-17(15)16/h4-11,20H,3,12H2,1-2H3,(H,21,22)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1297
PNG
(3-Aminopyridin-2(1H)-one analogue 17 | 5-ethyl-3-[...)
Show SMILES CCc1cc(NCc2cc3ccccc3[nH]2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H19N3O/c1-3-12-9-16(17(21)19-11(12)2)18-10-14-8-13-6-4-5-7-15(13)20-14/h4-9,18,20H,3,10H2,1-2H3,(H,19,21)
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n/an/a 4.37E+3n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1298
PNG
(2-pyridinone deriv. 28 | 3-(benzylamino)-5-ethyl-6...)
Show SMILES CCc1cc(NCc2ccccc2)c(=O)[nH]c1C
Show InChI InChI=1S/C15H18N2O/c1-3-13-9-14(15(18)17-11(13)2)16-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3,(H,17,18)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1299
PNG
(3-Aminopyridin-2(1H)-one analogue 19 | 3-[(1H-1,3-...)
Show SMILES CCc1cc(NCc2nc3ccccc3[nH]2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H18N4O/c1-3-11-8-14(16(21)18-10(11)2)17-9-15-19-12-6-4-5-7-13(12)20-15/h4-8,17H,3,9H2,1-2H3,(H,18,21)(H,19,20)
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n/an/a 7.59E+3n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1302
PNG
(3-Aminopyridin-2(1H)-one analogue 22 | 5-ethyl-6-m...)
Show SMILES CCc1cc(NCc2ccccn2)c(=O)[nH]c1C
Show InChI InChI=1S/C14H17N3O/c1-3-11-8-13(14(18)17-10(11)2)16-9-12-6-4-5-7-15-12/h4-8,16H,3,9H2,1-2H3,(H,17,18)
PDB
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n/an/a 1.51E+4n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1303
PNG
(3-Aminopyridin-2(1H)-one analogue 23 | 5-ethyl-3-[...)
Show SMILES CCc1cc(NCc2c[nH]c3ccccc23)c(=O)[nH]c1C
Show InChI InChI=1S/C17H19N3O/c1-3-12-8-16(17(21)20-11(12)2)19-10-13-9-18-15-7-5-4-6-14(13)15/h4-9,18-19H,3,10H2,1-2H3,(H,20,21)
PDB
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n/an/a 2.24E+4n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1304
PNG
(3-Aminopyridin-2(1H)-one analogue 24 | 5-ethyl-3-[...)
Show SMILES CCc1cc(NCc2ccco2)c(=O)[nH]c1C
Show InChI InChI=1S/C13H16N2O2/c1-3-10-7-12(13(16)15-9(10)2)14-8-11-5-4-6-17-11/h4-7,14H,3,8H2,1-2H3,(H,15,16)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1305
PNG
(3-Aminopyridin-2(1H)-one analogue 25 | 5-ethyl-3-(...)
Show SMILES CCc1cc(NCc2cc3cnccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H17N3O2/c1-3-11-7-14(16(20)19-10(11)2)18-9-13-6-12-8-17-5-4-15(12)21-13/h4-8,18H,3,9H2,1-2H3,(H,19,20)
PDB
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n/an/a 3.24E+4n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1306
PNG
(3-Aminopyridin-2(1H)-one analogue 26 | 5-ethyl-3-(...)
Show SMILES CCc1cc(NCc2cc3ccncc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H17N3O2/c1-3-11-7-14(16(20)19-10(11)2)18-8-13-6-12-4-5-17-9-15(12)21-13/h4-7,9,18H,3,8H2,1-2H3,(H,19,20)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1307
PNG
(3-Aminopyridin-2(1H)-one analogue 27 | 5-Ethyl-3-[...)
Show SMILES CCc1cc(NCc2ccoc2)c(=O)[nH]c1C
Show InChI InChI=1S/C13H16N2O2/c1-3-11-6-12(13(16)15-9(11)2)14-7-10-4-5-17-8-10/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
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n/an/a 1.45E+5n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1308
PNG
(2-pyridinone deriv. 26 | 3-Aminopyridin-2(1H)-one ...)
Show SMILES CCc1cc(NCc2cccnc2)c(=O)[nH]c1C
Show InChI InChI=1S/C14H17N3O/c1-3-12-7-13(14(18)17-10(12)2)16-9-11-5-4-6-15-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,18)
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n/an/a 3.02E+5n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%