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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'jarvis' and Initial = 'k'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251661
PNG
(2-(2-(pyrrolidin-1-yl)propan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(C)(N1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,19-8-3-4-9-19)14-17-11-7-5-6-10(13(16)20)12(11)18-14/h5-7H,3-4,8-9H2,1-2H3,(H2,16,20)(H,17,18)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251657
PNG
(2-(2-(methylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O/c1-12(2,14-3)11-15-8-6-4-5-7(10(13)17)9(8)16-11/h4-6,14H,1-3H3,(H2,13,17)(H,15,16)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251620
PNG
(2-(2-(isopropylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-8(2)18-14(3,4)13-16-10-7-5-6-9(12(15)19)11(10)17-13/h5-8,18H,1-4H3,(H2,15,19)(H,16,17)
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251621
PNG
(2-(2-(cyclopropylmethylamino)propan-2-yl)-1H-benzo...)
Show SMILES CC(C)(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-15(2,17-8-9-6-7-9)14-18-11-5-3-4-10(13(16)20)12(11)19-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,20)(H,18,19)
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251658
PNG
(2-(2-(dimethylamino)propan-2-yl)-1H-benzo[d]imidaz...)
Show SMILES CN(C)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-13(2,17(3)4)12-15-9-7-5-6-8(11(14)18)10(9)16-12/h5-7H,1-4H3,(H2,14,18)(H,15,16)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251622
PNG
(2-(2-(cyclopentylamino)propan-2-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-10-6-3-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10,20H,3-4,6-7H2,1-2H3,(H2,17,21)(H,18,19)
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251619
PNG
(2-(2-(propylamino)propan-2-yl)-1H-benzo[d]imidazol...)
Show SMILES CCCNC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-4-8-16-14(2,3)13-17-10-7-5-6-9(12(15)19)11(10)18-13/h5-7,16H,4,8H2,1-3H3,(H2,15,19)(H,17,18)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251546
PNG
(2-(1-(isopropylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(C)NC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-7(2)15-8(3)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-8,15H,1-3H3,(H2,14,18)(H,16,17)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251695
PNG
(2-(2-(piperidin-1-yl)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(N1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251660
PNG
(2-(2-(methyl((tetrahydrofuran-3-yl)methyl)amino)pr...)
Show SMILES CN(CC1CCOC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O2/c1-17(2,21(3)9-11-7-8-23-10-11)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251617
PNG
(2-(2-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-b...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1(N)CCc2ccccc2C1
Show InChI InChI=1S/C18H18N4O/c19-16(23)13-6-3-7-14-15(13)22-17(21-14)18(20)9-8-11-4-1-2-5-12(11)10-18/h1-7H,8-10,20H2,(H2,19,23)(H,21,22)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251582
PNG
(2-(2-aminopropan-2-yl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES CC(C)(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C11H14N4O/c1-11(2,13)10-14-7-5-3-4-6(9(12)16)8(7)15-10/h3-5H,13H2,1-2H3,(H2,12,16)(H,14,15)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251659
PNG
(2-(2-(cyclobutyl(methyl)amino)propan-2-yl)-1H-benz...)
Show SMILES CN(C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-16(2,20(3)10-6-4-7-10)15-18-12-9-5-8-11(14(17)21)13(12)19-15/h5,8-10H,4,6-7H2,1-3H3,(H2,17,21)(H,18,19)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251547
PNG
(2-(1-(cyclopropylmethylamino)ethyl)-1H-benzo[d]imi...)
Show SMILES CC(NCC1CC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-8(16-7-9-5-6-9)14-17-11-4-2-3-10(13(15)19)12(11)18-14/h2-4,8-9,16H,5-7H2,1H3,(H2,15,19)(H,17,18)
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24n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251583
PNG
(2-(1-aminocyclopropyl)-1H-benzo[d]imidazole-4-carb...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CC1
Show InChI InChI=1S/C11H12N4O/c12-9(16)6-2-1-3-7-8(6)15-10(14-7)11(13)4-5-11/h1-3H,4-5,13H2,(H2,12,16)(H,14,15)
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251584
PNG
(2-(1-aminocyclobutyl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CCC1
Show InChI InChI=1S/C12H14N4O/c13-10(17)7-3-1-4-8-9(7)16-11(15-8)12(14)5-2-6-12/h1,3-4H,2,5-6,14H2,(H2,13,17)(H,15,16)
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251579
PNG
(2-(4-aminobutan-2-yl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES CC(CCN)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O/c1-7(5-6-13)12-15-9-4-2-3-8(11(14)17)10(9)16-12/h2-4,7H,5-6,13H2,1H3,(H2,14,17)(H,15,16)
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251548
PNG
(2-(1-(cyclopentylamino)ethyl)-1H-benzo[d]imidazole...)
Show SMILES CC(NC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C15H20N4O/c1-9(17-10-5-2-3-6-10)15-18-12-8-4-7-11(14(16)20)13(12)19-15/h4,7-10,17H,2-3,5-6H2,1H3,(H2,16,20)(H,18,19)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251551
PNG
(2-(1-(phenethylamino)ethyl)-1H-benzo[d]imidazole-4...)
Show SMILES CC(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C18H20N4O/c1-12(20-11-10-13-6-3-2-4-7-13)18-21-15-9-5-8-14(17(19)23)16(15)22-18/h2-9,12,20H,10-11H2,1H3,(H2,19,23)(H,21,22)
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251655
PNG
(2-(2-(phenethylamino)propan-2-yl)-1H-benzo[d]imida...)
Show SMILES CC(C)(NCCc1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C19H22N4O/c1-19(2,21-12-11-13-7-4-3-5-8-13)18-22-15-10-6-9-14(17(20)24)16(15)23-18/h3-10,21H,11-12H2,1-2H3,(H2,20,24)(H,22,23)
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37n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251545
PNG
(2-(1-(propylamino)ethyl)-1H-benzo[d]imidazole-4-ca...)
Show SMILES CCCNC(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H18N4O/c1-3-7-15-8(2)13-16-10-6-4-5-9(12(14)18)11(10)17-13/h4-6,8,15H,3,7H2,1-2H3,(H2,14,18)(H,16,17)
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41n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251580
PNG
(2-(4-(cyclopentylamino)butan-2-yl)-1H-benzo[d]imid...)
Show SMILES CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H24N4O/c1-11(9-10-19-12-5-2-3-6-12)17-20-14-8-4-7-13(16(18)22)15(14)21-17/h4,7-8,11-12,19H,2-3,5-6,9-10H2,1H3,(H2,18,22)(H,20,21)
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251585
PNG
(2-(1-aminocyclohexyl)-1H-benzo[d]imidazole-4-carbo...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)C1(N)CCCCC1
Show InChI InChI=1S/C14H18N4O/c15-12(19)9-5-4-6-10-11(9)18-13(17-10)14(16)7-2-1-3-8-14/h4-6H,1-3,7-8,16H2,(H2,15,19)(H,17,18)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251519
PNG
(2-(1-aminoethyl)-1H-benzo[d]imidazole-4-carboxamid...)
Show SMILES CC(N)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C10H12N4O/c1-5(11)10-13-7-4-2-3-6(9(12)15)8(7)14-10/h2-5H,11H2,1H3,(H2,12,15)(H,13,14)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251549
PNG
(2-(1-(cyclohexylamino)ethyl)-1H-benzo[d]imidazole-...)
Show SMILES CC(NC1CCCCC1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C16H22N4O/c1-10(18-11-6-3-2-4-7-11)16-19-13-9-5-8-12(15(17)21)14(13)20-16/h5,8-11,18H,2-4,6-7H2,1H3,(H2,17,21)(H,19,20)
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53n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251618
PNG
(2-(2-amino-2,3-dihydro-1H-inden-2-yl)-1H-benzo[d]i...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1(N)Cc2ccccc2C1
Show InChI InChI=1S/C17H16N4O/c18-15(22)12-6-3-7-13-14(12)21-16(20-13)17(19)8-10-4-1-2-5-11(10)9-17/h1-7H,8-9,19H2,(H2,18,22)(H,20,21)
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251550
PNG
(2-(1-(diethylamino)ethyl)-1H-benzo[d]imidazole-4-c...)
Show SMILES CCN(CC)C(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H20N4O/c1-4-18(5-2)9(3)14-16-11-8-6-7-10(13(15)19)12(11)17-14/h6-9H,4-5H2,1-3H3,(H2,15,19)(H,16,17)
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61n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093363
PNG
(2-Methyl-1H-benzoimidazole-4-carboxylic acid amide...)
Show SMILES Cc1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C9H9N3O/c1-5-11-7-4-2-3-6(9(10)13)8(7)12-5/h2-4H,1H3,(H2,10,13)(H,11,12)
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99n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251581
PNG
(2-(1-{[(dimethylamino)sulfonyl]amino}ethyl)-1H-ben...)
Show SMILES CC(NS(=O)(=O)N(C)C)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C12H17N5O3S/c1-7(16-21(19,20)17(2)3)12-14-9-6-4-5-8(11(13)18)10(9)15-12/h4-7,16H,1-3H3,(H2,13,18)(H,14,15)
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
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240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50251656
PNG
(1-(2-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)propan-...)
Show SMILES CCNC(=O)NC(C)(C)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C14H19N5O2/c1-4-16-13(21)19-14(2,3)12-17-9-7-5-6-8(11(15)20)10(9)18-12/h5-7H,4H2,1-3H3,(H2,15,20)(H,17,18)(H2,16,19,21)
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870n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
BindingDB Entry DOI: 10.7270/Q24F1QJK
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16531
PNG
((3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]o...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H24N4O3/c30-21(10-20-15-32-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(34)33-28)13-22-4-3-9-35-22/h1-9,11-16,21,32H,10,17,30H2,(H,33,34)/b26-13-/t21-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16952
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cc1ccc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)o1 |r|
Show InChI InChI=1S/C30H26N4O3/c1-18-6-8-23(37-18)13-27-26-12-19(7-9-29(26)34-30(27)35)20-11-24(16-32-14-20)36-17-22(31)10-21-15-33-28-5-3-2-4-25(21)28/h2-9,11-16,22,33H,10,17,31H2,1H3,(H,34,35)/b27-13-/t22-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16951
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccs3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H24N4O2S/c30-21(10-20-15-32-27-6-2-1-5-24(20)27)17-35-22-11-19(14-31-16-22)18-7-8-28-25(12-18)26(29(34)33-28)13-23-4-3-9-36-23/h1-9,11-16,21,32H,10,17,30H2,(H,33,34)/b26-13-/t21-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16947
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cc[nH]c3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H25N5O2/c30-22(10-21-15-33-27-4-2-1-3-24(21)27)17-36-23-11-20(14-32-16-23)19-5-6-28-25(12-19)26(29(35)34-28)9-18-7-8-31-13-18/h1-9,11-16,22,31,33H,10,17,30H2,(H,34,35)/b26-9-/t22-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16938
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(F)(F)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H20F2N4O2/c25-24(26)20-9-14(5-6-22(20)30-23(24)31)15-8-18(12-28-10-15)32-13-17(27)7-16-11-29-21-4-2-1-3-19(16)21/h1-6,8-12,17,29H,7,13,27H2,(H,30,31)/t17-/m0/s1
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n/an/a 1.5n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16944
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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n/an/a 2n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16923
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H22N4O2/c25-19(8-18-12-27-23-4-2-1-3-21(18)23)14-30-20-9-17(11-26-13-20)15-5-6-22-16(7-15)10-24(29)28-22/h1-7,9,11-13,19,27H,8,10,14,25H2,(H,28,29)/t19-/m0/s1
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n/an/a 3.20n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16939
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CC3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H26N4O2/c29-21(10-20-14-31-26-4-2-1-3-23(20)26)16-34-22-11-19(13-30-15-22)18-7-8-27-24(12-18)25(28(33)32-27)9-17-5-6-17/h1-4,7-9,11-15,17,21,31H,5-6,10,16,29H2,(H,32,33)/b25-9-/t21-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16934
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-22-10-16(6-7-24(22)29-25(15)30)17-9-20(13-27-11-17)31-14-19(26)8-18-12-28-23-5-3-2-4-21(18)23/h2-7,9-13,15,19,28H,8,14,26H2,1H3,(H,29,30)/t15?,19-/m0/s1
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n/an/a 4n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16931
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O2S/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16919
PNG
(3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2/t18-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16940
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H26N4O2/c32-24(13-23-17-34-29-9-5-4-8-26(23)29)19-37-25-14-22(16-33-18-25)21-10-11-30-27(15-21)28(31(36)35-30)12-20-6-2-1-3-7-20/h1-12,14-18,24,34H,13,19,32H2,(H,35,36)/b28-12-/t24-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16926
PNG
((3E)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(N=O)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H21N5O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-32-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29-31)24(30)28-22/h1-6,8-12,17,23,27H,7,13,25H2,(H,28,30)/t17-,23?/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16949
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ncc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H24N6O2/c29-20(9-19-14-33-25-4-2-1-3-22(19)25)16-36-21-10-18(13-30-15-21)17-5-6-26-23(11-17)24(28(35)34-26)12-27-31-7-8-32-27/h1-8,10-15,20,33H,9,16,29H2,(H,31,32)(H,34,35)/b24-12-/t20-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16930
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)oc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O3/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16946
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cn1cccc1\C=C1/C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C30H27N5O2/c1-35-10-4-5-23(35)14-27-26-13-19(8-9-29(26)34-30(27)36)20-12-24(17-32-15-20)37-18-22(31)11-21-16-33-28-7-3-2-6-25(21)28/h2-10,12-17,22,33H,11,18,31H2,1H3,(H,34,36)/b27-14-/t22-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16953
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)oc1C |r|
Show InChI InChI=1S/C31H28N4O3/c1-18-9-24(38-19(18)2)13-28-27-12-20(7-8-30(27)35-31(28)36)21-11-25(16-33-14-21)37-17-23(32)10-22-15-34-29-6-4-3-5-26(22)29/h3-9,11-16,23,34H,10,17,32H2,1-2H3,(H,35,36)/b28-13-/t23-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16943
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccn3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H25N5O2/c31-22(11-21-16-34-28-7-2-1-6-25(21)28)18-37-24-12-20(15-32-17-24)19-8-9-29-26(13-19)27(30(36)35-29)14-23-5-3-4-10-33-23/h1-10,12-17,22,34H,11,18,31H2,(H,35,36)/b27-14-/t22-/m0/s1
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Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
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