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Compile Data Set for Download or QSAR

Found 15 hits of Enz. Inhib. data with enzyme = '3-phosphoinositide dependent protein kinase-1' and Substrate = 'Serine/threonine-protein kinase Sgk1'   
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


(Homo sapiens (human))
BDBM19091
PNG
(9-amino-15,16-dimethoxy-6-methyl-8,12-diazatetracy...)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(O)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H17N3O3/c1-9-14(23)5-4-10-17-11-6-15(24-2)16(25-3)7-13(11)21-8-12(17)19(20)22-18(9)10/h4-8,23H,1-3H3,(H2,20,22)
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n/an/a 40n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19087
PNG
(15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8....)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
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Article
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n/an/a 60n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19098
PNG
(16-methoxy-6-methyl-15-[2-(morpholin-4-yl)ethoxy]-...)
Show SMILES COc1cc2c(cc1OCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C24H27N5O3/c1-14-18(25)4-3-15-22-16-11-20(30-2)21(32-10-7-29-5-8-31-9-6-29)12-19(16)27-13-17(22)24(26)28-23(14)15/h3-4,11-13H,5-10,25H2,1-2H3,(H2,26,28)
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n/an/a 60n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19099
PNG
(15-[3-(dimethylamino)propoxy]-16-methoxy-6-methyl-...)
Show SMILES COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C23H27N5O2/c1-13-17(24)7-6-14-21-15-10-19(29-4)20(30-9-5-8-28(2)3)11-18(15)26-12-16(21)23(25)27-22(13)14/h6-7,10-12H,5,8-9,24H2,1-4H3,(H2,25,27)
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n/an/a 200n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19090
PNG
(15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8....)
Show SMILES COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC
Show InChI InChI=1S/C19H17N3O2/c1-10-5-4-6-11-17-12-7-15(23-2)16(24-3)8-14(12)21-9-13(17)19(20)22-18(10)11/h4-9H,1-3H3,(H2,20,22)
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n/an/a 260n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19093
PNG
(15,16-diethoxy-6-methyl-8,12-diazatetracyclo[8.8.0...)
Show SMILES CCOc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OCC
Show InChI InChI=1S/C21H22N4O2/c1-4-26-17-8-13-16(9-18(17)27-5-2)24-10-14-19(13)12-6-7-15(22)11(3)20(12)25-21(14)23/h6-10H,4-5,22H2,1-3H3,(H2,23,25)
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n/an/a 270n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19096
PNG
(16-methoxy-6-methyl-15-N-[3-(morpholin-4-yl)propyl...)
Show SMILES COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C25H30N6O2/c1-15-19(26)5-4-16-23-17-12-22(32-2)21(28-6-3-7-31-8-10-33-11-9-31)13-20(17)29-14-18(23)25(27)30-24(15)16/h4-5,12-14,28H,3,6-11,26H2,1-2H3,(H2,27,30)
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n/an/a 290n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19095
PNG
(16-methoxy-6-methyl-15-N-[2-(morpholin-4-yl)ethyl]...)
Show SMILES COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C24H28N6O2/c1-14-18(25)4-3-15-22-16-11-21(31-2)20(27-5-6-30-7-9-32-10-8-30)12-19(16)28-13-17(22)24(26)29-23(14)15/h3-4,11-13,27H,5-10,25H2,1-2H3,(H2,26,29)
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n/an/a 300n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19094
PNG
(15-fluoro-16-methoxy-6-methyl-8,12-diazatetracyclo...)
Show SMILES COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C18H15FN4O/c1-8-13(20)4-3-9-16-10-5-15(24-2)12(19)6-14(10)22-7-11(16)18(21)23-17(8)9/h3-7H,20H2,1-2H3,(H2,21,23)
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n/an/a 580n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19089
PNG
(15,16-dimethoxy-8,12-diazatetracyclo[8.8.0.0^{2,7}...)
Show SMILES COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC
Show InChI InChI=1S/C18H16N4O2/c1-23-15-6-11-13(7-16(15)24-2)21-8-12-17(11)10-4-3-9(19)5-14(10)22-18(12)20/h3-8H,19H2,1-2H3,(H2,20,22)
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n/an/a 670n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19097
PNG
(15-N-[3-(dimethylamino)propyl]-16-methoxy-6-methyl...)
Show SMILES COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C23H28N6O/c1-13-17(24)7-6-14-21-15-10-20(30-4)19(26-8-5-9-29(2)3)11-18(15)27-12-16(21)23(25)28-22(13)14/h6-7,10-12,26H,5,8-9,24H2,1-4H3,(H2,25,28)
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n/an/a 970n/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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19100
PNG
(16-methoxy-6-methyl-15-(3-methylbutoxy)-8,12-diaza...)
Show SMILES COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C23H26N4O2/c1-12(2)7-8-29-20-10-18-15(9-19(20)28-4)21-14-5-6-17(24)13(3)22(14)27-23(25)16(21)11-26-18/h5-6,9-12H,7-8,24H2,1-4H3,(H2,25,27)
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n/an/a 1.18E+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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19092
PNG
(5-chloro-15,16-dimethoxy-6-methyl-8,12-diazatetrac...)
Show SMILES COc1cc2ncc3c(N)nc4c(C)c(Cl)ccc4c3c2cc1OC
Show InChI InChI=1S/C19H16ClN3O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,1-3H3,(H2,21,23)
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n/an/a 2.12E+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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19252
PNG
(15-N-[2-(dimethylamino)ethyl]-16-methoxy-6-methyl-...)
Show SMILES COc1cc2c(cc1NCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C22H26N6O/c1-12-16(23)6-5-13-20-14-9-19(29-4)18(25-7-8-28(2)3)10-17(14)26-11-15(20)22(24)27-21(12)13/h5-6,9-11,25H,7-8,23H2,1-4H3,(H2,24,27)
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n/an/a 2.49E+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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19088
PNG
(4,5-dimethoxy-8,12-diazatetracyclo[8.8.0.0^{2,7}.0...)
Show SMILES COc1cc2ncc3cnc4ccccc4c3c2cc1OC
Show InChI InChI=1S/C18H14N2O2/c1-21-16-7-13-15(8-17(16)22-2)20-10-11-9-19-14-6-4-3-5-12(14)18(11)13/h3-10H,1-2H3
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n/an/a 7.45E+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 different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair