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Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'wucherer-plietker' and Initial = 'm'   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117036
PNG
(US8664236, A16 | US9238651, A16)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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US Patent
n/an/a 2.60n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117036
PNG
(US8664236, A16 | US9238651, A16)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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US Patent
n/an/a 4.70n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117036
PNG
(US8664236, A16 | US9238651, A16)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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n/an/a 4.70n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117043
PNG
(US8664236, A23 | US9238651, A23)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(H2,26,30,31)
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US Patent
n/an/a 4.80n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117043
PNG
(US8664236, A23 | US9238651, A23)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(H2,26,30,31)
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US Patent
n/an/a 4.80n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117046
PNG
(US8664236, A26 | US9238651, A26)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1
Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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n/an/a 5n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117047
PNG
(US8664236, A27 | US9238651, A27)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1
Show InChI InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29)
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n/an/a 5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117047
PNG
(US8664236, A27 | US9238651, A27)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1
Show InChI InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29)
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n/an/a 5n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117046
PNG
(US8664236, A26 | US9238651, A26)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1
Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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US Patent
n/an/a 5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117045
PNG
(US8664236, A25 | US9238651, A25)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31)
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US Patent
n/an/a 6.5n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117045
PNG
(US8664236, A25 | US9238651, A25)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31)
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US Patent
n/an/a 6.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117049
PNG
(US8664236, A29 | US9238651, A29)
Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)
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US Patent
n/an/a 7n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117049
PNG
(US8664236, A29 | US9238651, A29)
Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)
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n/an/a 7n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117050
PNG
(US8664236, A30 | US9238651, A30)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 7.10n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117030
PNG
(US8664236, A10 | US9238651, A10)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 7.60n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117030
PNG
(US8664236, A10 | US9238651, A10)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 7.60n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117050
PNG
(US8664236, A30 | US9238651, A30)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)
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US Patent
n/an/a 7.90n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117050
PNG
(US8664236, A30 | US9238651, A30)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 7.90n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117052
PNG
(US8664236, A31 | US9238651, A31)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1
Show InChI InChI=1S/C24H25N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,8-9,25H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 8.70n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117052
PNG
(US8664236, A31 | US9238651, A31)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1
Show InChI InChI=1S/C24H25N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,8-9,25H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 8.70n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117029
PNG
(US8664236, A9 | US9238651, A9)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 9.70n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117029
PNG
(US8664236, A9 | US9238651, A9)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 9.70n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117041
PNG
(US8664236, A21 | US9238651, A21)
Show SMILES COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31)
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n/an/a 11n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117041
PNG
(US8664236, A21 | US9238651, A21)
Show SMILES COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31)
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n/an/a 11n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117032
PNG
(US8664236, A12 | US9238651, A12)
Show SMILES CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 12n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117032
PNG
(US8664236, A12 | US9238651, A12)
Show SMILES CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 12n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117024
PNG
(US8664236, A4 | US9238651, A4)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1
Show InChI InChI=1S/C23H22N8O/c1-30-14-16(12-27-30)15-9-18-19(13-26-22(18)25-11-15)20-10-21(29-23(24)28-20)31(7-8-32)17-5-3-2-4-6-17/h2-6,9-14,32H,7-8H2,1H3,(H,25,26)(H2,24,28,29)
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n/an/a 13n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178285
PNG
(CHEMBL3813865)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
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n/an/a 13n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117024
PNG
(US8664236, A4 | US9238651, A4)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1
Show InChI InChI=1S/C23H22N8O/c1-30-14-16(12-27-30)15-9-18-19(13-26-22(18)25-11-15)20-10-21(29-23(24)28-20)31(7-8-32)17-5-3-2-4-6-17/h2-6,9-14,32H,7-8H2,1H3,(H,25,26)(H2,24,28,29)
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n/an/a 13n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM205195
PNG
(US9249114, A21)
Show SMILES COc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)
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n/an/a 14n/an/an/an/a7.530



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKKε, 800 nM biotinylated IκB&a...


US Patent US9249114 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K60
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117031
PNG
(US8664236, A11 | US9238651, A11)
Show SMILES CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28)
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n/an/a 16.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117031
PNG
(US8664236, A11 | US9238651, A11)
Show SMILES CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28)
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n/an/a 16.5n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117035
PNG
(US8664236, A15 | US9238651, A15)
Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32)
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n/an/a 17n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117035
PNG
(US8664236, A15 | US9238651, A15)
Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32)
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n/an/a 17n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117056
PNG
(US8664236, A35 | US9238651, A35)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1
Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(H,27,28)(H2,26,30,31)
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n/an/a 17n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117056
PNG
(US8664236, A35 | US9238651, A35)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1
Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(H,27,28)(H2,26,30,31)
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n/an/a 17n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117063
PNG
(US8664236, A42 | US9238651, A42)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1
Show InChI InChI=1S/C24H20FN7/c1-32-13-15(11-29-32)14-8-16-17(12-28-22(16)27-10-14)20-9-21(31-23(26)30-20)24(6-7-24)18-4-2-3-5-19(18)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 20n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117064
PNG
(US8664236, A43 | US9238651, A43)
Show SMILES CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33)
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n/an/a 22n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117064
PNG
(US8664236, A43 | US9238651, A43)
Show SMILES CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33)
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n/an/a 22n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117046
PNG
(US8664236, A26 | US9238651, A26)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1
Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)
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n/an/a 23n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117025
PNG
(US8664236, A5 | US9238651, A5)
Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117025
PNG
(US8664236, A5 | US9238651, A5)
Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1
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n/an/a 24n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117049
PNG
(US8664236, A29 | US9238651, A29)
Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)
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n/an/a 25.5n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117030
PNG
(US8664236, A10 | US9238651, A10)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 26n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117029
PNG
(US8664236, A9 | US9238651, A9)
Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 27n/an/an/an/a8.04



Merck Patent GmbH

US Patent


Assay Description
The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117039
PNG
(US8664236, A19 | US9238651, A19)
Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31)
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n/an/a 30n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117039
PNG
(US8664236, A19 | US9238651, A19)
Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31)
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n/an/a 30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM205200
PNG
(US9249114, A26)
Show SMILES CN1CCC(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1
Show InChI InChI=1S/C23H25N5O2S/c1-28-12-8-16(9-13-28)14-15-2-4-17(5-3-15)21(30)27-23-19(20(24)29)26-22(31-23)18-6-10-25-11-7-18/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,24,29)(H,27,30)
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n/an/a 31n/an/an/an/a7.530



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKKε, 800 nM biotinylated IκB&a...


US Patent US9249114 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K60
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117021
PNG
(US8664236, A1 | US9238651, A1)
Show SMILES CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 34n/an/an/an/an/a30



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...


US Patent US9238651 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HQZ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM117021
PNG
(US8664236, A1 | US9238651, A1)
Show SMILES CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)
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n/an/a 34n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.


US Patent US8664236 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99RR
More data for this
Ligand-Target Pair
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