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7 similar compounds to monomer 116516

Compile data set for download or QSAR
Wt: 538.6
BDBM116520
Wt: 481.5
BDBM116734
Wt: 498.5
BDBM116528
Wt: 524.6
BDBM116530
Wt: 538.6
BDBM116539
Wt: 595.7
BDBM116541
Wt: 467.5
BDBM116661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 116520,116734,116528,116530,116539,116541,116661   
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116520
PNG
(US8637532, 206)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
Show InChI InChI=1S/C30H34N8O2/c1-37(2)18-25(36-29-24-11-7-10-23(28(31)39)27(24)33-19-34-29)20-8-6-9-22(16-20)35-30(40)21-12-13-32-26(17-21)38-14-4-3-5-15-38/h6-13,16-17,19,25H,3-5,14-15,18H2,1-2H3,(H2,31,39)(H,35,40)(H,33,34,36)
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n/an/a 0.800n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM116734
PNG
(US8637532, 444)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-16-18-6-4-7-20(14-18)33-27(36)19-10-11-29-23(15-19)34-12-2-1-3-13-34/h4-11,14-15,17H,1-3,12-13,16H2,(H2,28,35)(H,33,36)(H,30,31,32)
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n/an/a 8.30E+4n/an/an/an/a7.530



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well Flashplate assay (PerkinElmer LAS Germany GmbH). 3.4 nM His6-PDK1(Delta 1-50) (PDK1 that has a His-tag cons...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116530
PNG
(US8637532, 216)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncc(c2)N2CCCC2)c1
Show InChI InChI=1S/C29H32N8O2/c1-36(2)17-25(35-28-24-10-6-9-23(27(30)38)26(24)32-18-33-28)19-7-5-8-21(13-19)34-29(39)20-14-22(16-31-15-20)37-11-3-4-12-37/h5-10,13-16,18,25H,3-4,11-12,17H2,1-2H3,(H2,30,38)(H,34,39)(H,32,33,35)
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n/an/a 1.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116539
PNG
(US8637532, 229)
Show SMILES CC1CCCN1c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H34N8O2/c1-19-7-6-14-38(19)26-16-21(12-13-32-26)30(40)35-22-9-4-8-20(15-22)25(17-37(2)3)36-29-24-11-5-10-23(28(31)39)27(24)33-18-34-29/h4-5,8-13,15-16,18-19,25H,6-7,14,17H2,1-3H3,(H2,31,39)(H,35,40)(H,33,34,36)
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n/an/a 2.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116541
PNG
(US8637532, 231)
Show SMILES CCN(CC)C1CCN(C1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C33H41N9O2/c1-5-41(6-2)25-14-16-42(19-25)29-18-23(13-15-35-29)33(44)38-24-10-7-9-22(17-24)28(20-40(3)4)39-32-27-12-8-11-26(31(34)43)30(27)36-21-37-32/h7-13,15,17-18,21,25,28H,5-6,14,16,19-20H2,1-4H3,(H2,34,43)(H,38,44)(H,36,37,39)
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n/an/a 2.40n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116661
PNG
(US8637532, 362)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O2/c27-24(34)20-7-4-8-21-23(20)30-16-31-25(21)29-15-17-5-3-6-19(13-17)32-26(35)18-9-10-28-22(14-18)33-11-1-2-12-33/h3-10,13-14,16H,1-2,11-12,15H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 21n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116734
PNG
(US8637532, 444)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-16-18-6-4-7-20(14-18)33-27(36)19-10-11-29-23(15-19)34-12-2-1-3-13-34/h4-11,14-15,17H,1-3,12-13,16H2,(H2,28,35)(H,33,36)(H,30,31,32)
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n/an/a 41n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116520
PNG
(US8637532, 206)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
Show InChI InChI=1S/C30H34N8O2/c1-37(2)18-25(36-29-24-11-7-10-23(28(31)39)27(24)33-19-34-29)20-8-6-9-22(16-20)35-30(40)21-12-13-32-26(17-21)38-14-4-3-5-15-38/h6-13,16-17,19,25H,3-5,14-15,18H2,1-2H3,(H2,31,39)(H,35,40)(H,33,34,36)
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n/an/a 0.610n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116528
PNG
(US8637532, 214)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N(C)C)c1
Show InChI InChI=1S/C27H30N8O2/c1-34(2)15-22(33-26-21-10-6-9-20(25(28)36)24(21)30-16-31-26)17-7-5-8-19(13-17)32-27(37)18-11-12-29-23(14-18)35(3)4/h5-14,16,22H,15H2,1-4H3,(H2,28,36)(H,32,37)(H,30,31,33)
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n/an/a 4.90n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116530
PNG
(US8637532, 216)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncc(c2)N2CCCC2)c1
Show InChI InChI=1S/C29H32N8O2/c1-36(2)17-25(35-28-24-10-6-9-23(27(30)38)26(24)32-18-33-28)19-7-5-8-21(13-19)34-29(39)20-14-22(16-31-15-20)37-11-3-4-12-37/h5-10,13-16,18,25H,3-4,11-12,17H2,1-2H3,(H2,30,38)(H,34,39)(H,32,33,35)
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n/an/a 0.840n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116539
PNG
(US8637532, 229)
Show SMILES CC1CCCN1c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C30H34N8O2/c1-19-7-6-14-38(19)26-16-21(12-13-32-26)30(40)35-22-9-4-8-20(15-22)25(17-37(2)3)36-29-24-11-5-10-23(28(31)39)27(24)33-18-34-29/h4-5,8-13,15-16,18-19,25H,6-7,14,17H2,1-3H3,(H2,31,39)(H,35,40)(H,33,34,36)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116541
PNG
(US8637532, 231)
Show SMILES CCN(CC)C1CCN(C1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(CN(C)C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C33H41N9O2/c1-5-41(6-2)25-14-16-42(19-25)29-18-23(13-15-35-29)33(44)38-24-10-7-9-22(17-24)28(20-40(3)4)39-32-27-12-8-11-26(31(34)43)30(27)36-21-37-32/h7-13,15,17-18,21,25,28H,5-6,14,16,19-20H2,1-4H3,(H2,34,43)(H,38,44)(H,36,37,39)
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n/an/a 19n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116661
PNG
(US8637532, 362)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O2/c27-24(34)20-7-4-8-21-23(20)30-16-31-25(21)29-15-17-5-3-6-19(13-17)32-26(35)18-9-10-28-22(14-18)33-11-1-2-12-33/h3-10,13-14,16H,1-2,11-12,15H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116734
PNG
(US8637532, 444)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-16-18-6-4-7-20(14-18)33-27(36)19-10-11-29-23(15-19)34-12-2-1-3-13-34/h4-11,14-15,17H,1-3,12-13,16H2,(H2,28,35)(H,33,36)(H,30,31,32)
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n/an/a 0.890n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116661
PNG
(US8637532, 362)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCC4)c3)ncnc12
Show InChI InChI=1S/C26H25N7O2/c27-24(34)20-7-4-8-21-23(20)30-16-31-25(21)29-15-17-5-3-6-19(13-17)32-26(35)18-9-10-28-22(14-18)33-11-1-2-12-33/h3-10,13-14,16H,1-2,11-12,15H2,(H2,27,34)(H,32,35)(H,29,30,31)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116734
PNG
(US8637532, 444)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
Show InChI InChI=1S/C27H27N7O2/c28-25(35)21-8-5-9-22-24(21)31-17-32-26(22)30-16-18-6-4-7-20(14-18)33-27(36)19-10-11-29-23(15-19)34-12-2-1-3-13-34/h4-11,14-15,17H,1-3,12-13,16H2,(H2,28,35)(H,33,36)(H,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116528
PNG
(US8637532, 214)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N(C)C)c1
Show InChI InChI=1S/C27H30N8O2/c1-34(2)15-22(33-26-21-10-6-9-20(25(28)36)24(21)30-16-31-26)17-7-5-8-19(13-17)32-27(37)18-11-12-29-23(14-18)35(3)4/h5-14,16,22H,15H2,1-4H3,(H2,28,36)(H,32,37)(H,30,31,33)
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n/an/a 1n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair