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Compile Data Set for Download or QSAR

Found 35 hits of ic50 data for polymerid = 4015   
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
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32447
PNG
(Benzo[c][2,7]naphthyridine, 39)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2CCO)c1
Show InChI InChI=1S/C27H25N5O3/c1-34-25-11-20-19-10-23(32-27(28)21(19)15-30-24(20)12-26(25)35-2)17-9-18(14-29-13-17)31-22-6-4-3-5-16(22)7-8-33/h3-6,9-15,31,33H,7-8H2,1-2H3,(H2,28,32)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32435
PNG
(Benzo[c][2,7]naphthyridine, 28)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(N)c1
Show InChI InChI=1S/C19H17N5O2/c1-25-17-5-13-12-4-15(10-3-11(20)8-22-7-10)24-19(21)14(12)9-23-16(13)6-18(17)26-2/h3-9H,20H2,1-2H3,(H2,21,24)
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n/an/a 26n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32450
PNG
(Benzo[c][2,7]naphthyridine, 42)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2F)c1
Show InChI InChI=1S/C25H20FN5O2/c1-32-23-9-17-16-8-21(31-25(27)18(16)13-29-22(17)10-24(23)33-2)14-7-15(12-28-11-14)30-20-6-4-3-5-19(20)26/h3-13,30H,1-2H3,(H2,27,31)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32430
PNG
(Benzo[c][2,7]naphthyridine, 24)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1
Show InChI InChI=1S/C19H16N4O2/c1-24-17-7-13-12-6-15(11-4-3-5-21-9-11)23-19(20)14(12)10-22-16(13)8-18(17)25-2/h3-10H,1-2H3,(H2,20,23)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32433
PNG
(Benzo[c][2,7]naphthyridine, 14)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1
Show InChI InChI=1S/C21H20N4O3/c1-26-6-7-28-20-10-18-15(9-19(20)27-2)14-8-17(13-4-3-5-23-11-13)25-21(22)16(14)12-24-18/h3-5,8-12H,6-7H2,1-2H3,(H2,22,25)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32444
PNG
(Benzo[c][2,7]naphthyridine, 36)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2CO)c1
Show InChI InChI=1S/C26H23N5O3/c1-33-24-9-19-18-8-22(31-26(27)20(18)13-29-23(19)10-25(24)34-2)16-7-17(12-28-11-16)30-21-6-4-3-5-15(21)14-32/h3-13,30,32H,14H2,1-2H3,(H2,27,31)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32449
PNG
(Benzo[c][2,7]naphthyridine, 41)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2N)c1
Show InChI InChI=1S/C25H22N6O2/c1-32-23-9-17-16-8-21(31-25(27)18(16)13-29-22(17)10-24(23)33-2)14-7-15(12-28-11-14)30-20-6-4-3-5-19(20)26/h3-13,30H,26H2,1-2H3,(H2,27,31)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32436
PNG
(Benzo[c][2,7]naphthyridine, 29)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(O)c1
Show InChI InChI=1S/C19H16N4O3/c1-25-17-5-13-12-4-15(10-3-11(24)8-21-7-10)23-19(20)14(12)9-22-16(13)6-18(17)26-2/h3-9,24H,1-2H3,(H2,20,23)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32437
PNG
(Benzo[c][2,7]naphthyridine, 30)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Br)c1
Show InChI InChI=1S/C19H15BrN4O2/c1-25-17-5-13-12-4-15(10-3-11(20)8-22-7-10)24-19(21)14(12)9-23-16(13)6-18(17)26-2/h3-9H,1-2H3,(H2,21,24)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32427
PNG
(Benzo[c][2,7]naphthyridine, 21)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncn1C
Show InChI InChI=1S/C18H17N5O2/c1-23-9-20-8-15(23)14-4-10-11-5-16(24-2)17(25-3)6-13(11)21-7-12(10)18(19)22-14/h4-9H,1-3H3,(H2,19,22)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32445
PNG
(Benzo[c][2,7]naphthyridine, 37)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2cccc(CO)c2)c1
Show InChI InChI=1S/C26H23N5O3/c1-33-24-9-20-19-8-22(31-26(27)21(19)13-29-23(20)10-25(24)34-2)16-7-18(12-28-11-16)30-17-5-3-4-15(6-17)14-32/h3-13,30,32H,14H2,1-2H3,(H2,27,31)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32422
PNG
(Benzo[c][2,7]naphthyridine, 9)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
Show InChI InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32441
PNG
(Benzo[c][2,7]naphthyridine, 33)
Show SMILES COc1ccccc1Nc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1
Show InChI InChI=1S/C26H23N5O3/c1-32-23-7-5-4-6-20(23)30-16-8-15(12-28-13-16)21-9-17-18-10-24(33-2)25(34-3)11-22(18)29-14-19(17)26(27)31-21/h4-14,30H,1-3H3,(H2,27,31)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32431
PNG
(Benzo[c][2,7]naphthyridine, 25)
Show SMILES CCOc1cc2ncc3c(N)nc(cc3c2cc1OCC)-c1cccnc1
Show InChI InChI=1S/C21H20N4O2/c1-3-26-19-9-15-14-8-17(13-6-5-7-23-11-13)25-21(22)16(14)12-24-18(15)10-20(19)27-4-2/h5-12H,3-4H2,1-2H3,(H2,22,25)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32448
PNG
(Benzo[c][2,7]naphthyridine, 40)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccc(CCO)cc2)c1
Show InChI InChI=1S/C27H25N5O3/c1-34-25-11-21-20-10-23(32-27(28)22(20)15-30-24(21)12-26(25)35-2)17-9-19(14-29-13-17)31-18-5-3-16(4-6-18)7-8-33/h3-6,9-15,31,33H,7-8H2,1-2H3,(H2,28,32)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32425
PNG
(Benzo[c][2,7]naphthyridine, 12)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
Show InChI InChI=1S/C17H15N5O2/c1-23-14-5-11-10-6-16(22-4-3-19-9-22)21-17(18)12(10)8-20-13(11)7-15(14)24-2/h3-9H,1-2H3,(H2,18,21)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32428
PNG
(Benzo[c][2,7]naphthyridine, 22)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccccn1
Show InChI InChI=1S/C19H16N4O2/c1-24-17-8-12-11-7-16(14-5-3-4-6-21-14)23-19(20)13(11)10-22-15(12)9-18(17)25-2/h3-10H,1-2H3,(H2,20,23)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32423
PNG
(Benzo[c][2,7]naphthyridine, 10)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1cnc(C)c1
Show InChI InChI=1S/C20H21N5O3/c1-12-10-25(11-23-12)19-7-13-14-6-17(27-3)18(28-5-4-26-2)8-16(14)22-9-15(13)20(21)24-19/h6-11H,4-5H2,1-3H3,(H2,21,24)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32446
PNG
(Benzo[c][2,7]naphthyridine, 38)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccc(CO)cc2)c1
Show InChI InChI=1S/C26H23N5O3/c1-33-24-9-20-19-8-22(31-26(27)21(19)13-29-23(20)10-25(24)34-2)16-7-18(12-28-11-16)30-17-5-3-15(14-32)4-6-17/h3-13,30,32H,14H2,1-2H3,(H2,27,31)
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Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32434
PNG
(Benzo[c][2,7]naphthyridine, 27)
Show SMILES COc1cc2c(cc1OCCCN1CCCCC1)ncc1c(N)nc(cc21)-c1cccnc1
Show InChI InChI=1S/C26H29N5O2/c1-32-24-14-20-19-13-22(18-7-5-8-28-16-18)30-26(27)21(19)17-29-23(20)15-25(24)33-12-6-11-31-9-3-2-4-10-31/h5,7-8,13-17H,2-4,6,9-12H2,1H3,(H2,27,30)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32432
PNG
(Benzo[c][2,7]naphthyridine, 26)
Show SMILES COc1cc2c(cc1OCc1ccccc1)ncc1c(N)nc(cc21)-c1cccnc1
Show InChI InChI=1S/C25H20N4O2/c1-30-23-11-19-18-10-21(17-8-5-9-27-13-17)29-25(26)20(18)14-28-22(19)12-24(23)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H2,26,29)
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n/an/a 146n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32440
PNG
(Benzo[c][2,7]naphthyridine, 32)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2)c1
Show InChI InChI=1S/C25H21N5O2/c1-31-23-10-19-18-9-21(30-25(26)20(18)14-28-22(19)11-24(23)32-2)15-8-17(13-27-12-15)29-16-6-4-3-5-7-16/h3-14,29H,1-2H3,(H2,26,30)
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n/an/a 283n/an/an/an/an/an/a



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32443
PNG
(Benzo[c][2,7]naphthyridine, 35)
Show SMILES COc1ccc(Nc2cncc(c2)-c2cc3c(cnc4cc(OC)c(OC)cc34)c(N)n2)cc1
Show InChI InChI=1S/C26H23N5O3/c1-32-18-6-4-16(5-7-18)30-17-8-15(12-28-13-17)22-9-19-20-10-24(33-2)25(34-3)11-23(20)29-14-21(19)26(27)31-22/h4-14,30H,1-3H3,(H2,27,31)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32442
PNG
(Benzo[c][2,7]naphthyridine, 34)
Show SMILES COc1cccc(Nc2cncc(c2)-c2cc3c(cnc4cc(OC)c(OC)cc34)c(N)n2)c1
Show InChI InChI=1S/C26H23N5O3/c1-32-18-6-4-5-16(8-18)30-17-7-15(12-28-13-17)22-9-19-20-10-24(33-2)25(34-3)11-23(20)29-14-21(19)26(27)31-22/h4-14,30H,1-3H3,(H2,27,31)
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Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32451
PNG
(Benzo[c][2,7]naphthyridine, 43)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2Nc2ccccc2)c1
Show InChI InChI=1S/C31H26N6O2/c1-38-29-14-23-22-13-27(37-31(32)24(22)18-34-28(23)15-30(29)39-2)19-12-21(17-33-16-19)36-26-11-7-6-10-25(26)35-20-8-4-3-5-9-20/h3-18,35-36H,1-2H3,(H2,32,37)
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n/an/a 505n/an/an/an/an/an/a



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32438
PNG
(Benzo[c][2,7]naphthyridine, 31)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1C
Show InChI InChI=1S/C20H18N4O2/c1-11-12(5-4-6-22-11)17-7-13-14-8-18(25-2)19(26-3)9-16(14)23-10-15(13)20(21)24-17/h4-10H,1-3H3,(H2,21,24)
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n/an/a 532n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32418
PNG
(Benzo[c][2,7]naphthyridine, 5)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N(C)C
Show InChI InChI=1S/C18H22N4O3/c1-22(2)17-8-11-12-7-15(24-4)16(25-6-5-23-3)9-14(12)20-10-13(11)18(19)21-17/h7-10H,5-6H2,1-4H3,(H2,19,21)
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n/an/a 739n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32452
PNG
(Benzo[c][2,7]naphthyridine, 44)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C32H27N5O3/c1-38-30-14-24-23-13-27(37-32(33)25(23)18-35-28(24)15-31(30)39-2)21-12-22(17-34-16-21)36-26-10-6-7-11-29(26)40-19-20-8-4-3-5-9-20/h3-18,36H,19H2,1-2H3,(H2,33,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32426
PNG
(Benzo[c][2,7]naphthyridine, 15)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccoc1
Show InChI InChI=1S/C18H15N3O3/c1-22-16-6-12-11-5-14(10-3-4-24-9-10)21-18(19)13(11)8-20-15(12)7-17(16)23-2/h3-9H,1-2H3,(H2,19,21)
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n/an/a>1.00E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32439
PNG
(Benzo[c][2,7]naphthyridine, 16)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccc(N)nc1
Show InChI InChI=1S/C19H17N5O2/c1-25-16-6-12-11-5-14(10-3-4-18(20)23-8-10)24-19(21)13(11)9-22-15(12)7-17(16)26-2/h3-9H,1-2H3,(H2,20,23)(H2,21,24)
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n/an/a>1.00E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32420
PNG
(Benzo[c][2,7]naphthyridine, 7)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N1CCCC1
Show InChI InChI=1S/C20H24N4O3/c1-25-7-8-27-18-11-16-14(9-17(18)26-2)13-10-19(24-5-3-4-6-24)23-20(21)15(13)12-22-16/h9-12H,3-8H2,1-2H3,(H2,21,23)
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n/an/a 1.86E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32424
PNG
(Benzo[c][2,7]naphthyridine, 11)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1cnc(c1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O3/c1-31-8-9-33-23-12-20-18(10-22(23)32-2)17-11-24(29-25(26)19(17)13-27-20)30-14-21(28-15-30)16-6-4-3-5-7-16/h3-7,10-15H,8-9H2,1-2H3,(H2,26,29)
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n/an/a 2.03E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32421
PNG
(Benzo[c][2,7]naphthyridine, 8)
Show SMILES COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N1CCC(O)CC1
Show InChI InChI=1S/C21H26N4O4/c1-27-7-8-29-19-11-17-15(9-18(19)28-2)14-10-20(24-21(22)16(14)12-23-17)25-5-3-13(26)4-6-25/h9-13,26H,3-8H2,1-2H3,(H2,22,24)
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n/an/a 2.06E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32429
PNG
(Benzo[c][2,7]naphthyridine, 23)
Show SMILES COc1cc2c(cc1OCC1CCN(C)CC1)ncc1c(N)nc(cc21)-c1ccncc1
Show InChI InChI=1S/C25H27N5O2/c1-30-9-5-16(6-10-30)15-32-24-13-22-19(12-23(24)31-2)18-11-21(17-3-7-27-8-4-17)29-25(26)20(18)14-28-22/h3-4,7-8,11-14,16H,5-6,9-10,15H2,1-2H3,(H2,26,29)
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n/an/a 6.92E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM32419
PNG
(Benzo[c][2,7]naphthyridine, 6)
Show SMILES COCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc23)c(N)n1
Show InChI InChI=1S/C19H24N4O4/c1-24-5-4-21-18-9-12-13-8-16(26-3)17(27-7-6-25-2)10-15(13)22-11-14(12)19(20)23-18/h8-11H,4-7H2,1-3H3,(H3,20,21,23)
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n/an/a 7.49E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differenti...


Bioorg Med Chem Lett 19: 5225-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.007
BindingDB Entry DOI: 10.7270/Q2XK8CXJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)