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13 molecules are shown

Wt: 342.3
BDBM32418
Wt: 372.4
BDBM32419
Wt: 368.4
BDBM32420
Wt: 398.4
BDBM32421
Wt: 365.3
BDBM32422
Wt: 379.4
BDBM32423
Wt: 441.4
BDBM32424
Wt: 321.3
BDBM32425
Wt: 335.3
BDBM32427
Wt: 332.3
BDBM32428
Wt: 332.3
BDBM32430
Wt: 360.4
BDBM32431
Wt: 376.4
BDBM32433

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 32418,32419,32420,32421,32422,32423,32424,32425,32427,32428,32430,32431,32433   
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))
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))
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)
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))
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))
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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n/an/a 70n/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 (crystal)
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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n/an/a 108n/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))
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))
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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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))
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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n/an/a 66n/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))
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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n/an/a>100n/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))
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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n/an/a 35n/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))
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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n/an/a 74n/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)