BindingDB logo
myBDB logout

31 similar compounds to monomer 116512

Compile data set for download or QSAR
Wt: 509.6
BDBM116757
Wt: 413.4
BDBM116760
Wt: 468.5
BDBM116950
Wt: 415.4
BDBM116962
Wt: 519.4
BDBM116703
Wt: 482.5
BDBM116717
Wt: 476.4
BDBM116508
Wt: 522.5
BDBM116511
Wt: 519.3
BDBM116513
Wt: 533.4
BDBM116514
Wt: 489.9
BDBM116521
Wt: 440.4
BDBM116522
Wt: 476.4
BDBM116523
Wt: 488.5
BDBM116526
Wt: 540.5
BDBM116527
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116757,116760,116950,116962,116703,116717,116508,116511,116513,116514,116521,116522,116523,116526,116527   
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))
BDBM116508
PNG
(US8637532, 189)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C25H22F2N6O2/c1-29-12-21(33-24-18-7-3-6-17(23(28)34)22(18)30-13-31-24)14-4-2-5-16(10-14)32-25(35)15-8-9-19(26)20(27)11-15/h2-11,13,21,29H,12H2,1H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.420n/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 B


(Homo sapiens (Human))
BDBM116962
PNG
(US8637532, 689)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-19-10-2-1-7-16(19)23(31)29-15-6-3-5-14(11-15)12-26-22-18-9-4-8-17(21(25)30)20(18)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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))
BDBM116513
PNG
(US8637532, 196)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN6O2/c1-28-13-21(32-24-20-7-3-6-19(23(27)33)22(20)29-14-30-24)16-4-2-5-18(12-16)31-25(34)15-8-10-17(26)11-9-15/h2-12,14,21,28H,13H2,1H3,(H2,27,33)(H,31,34)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.610n/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))
BDBM116514
PNG
(US8637532, 197)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H25BrN6O2/c1-33(2)14-22(32-25-21-8-4-7-20(24(28)34)23(21)29-15-30-25)17-5-3-6-19(13-17)31-26(35)16-9-11-18(27)12-10-16/h3-13,15,22H,14H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.650n/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))
BDBM116521
PNG
(US8637532, 207)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
Show InChI InChI=1S/C25H24ClN7O2/c1-33(2)13-20(32-24-19-8-4-7-18(23(27)34)22(19)29-14-30-24)15-5-3-6-17(11-15)31-25(35)16-9-10-28-21(26)12-16/h3-12,14,20H,13H2,1-2H3,(H2,27,34)(H,31,35)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.810n/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))
BDBM116522
PNG
(US8637532, 208)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H24N6O2/c1-27-14-21(31-24-20-12-6-11-19(23(26)32)22(20)28-15-29-24)17-9-5-10-18(13-17)30-25(33)16-7-3-2-4-8-16/h2-13,15,21,27H,14H2,1H3,(H2,26,32)(H,30,33)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.820n/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))
BDBM116523
PNG
(US8637532, 209)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C25H22F2N6O2/c1-29-12-20(33-24-17-8-3-7-16(23(28)34)22(17)30-13-31-24)14-5-2-6-15(11-14)32-25(35)21-18(26)9-4-10-19(21)27/h2-11,13,20,29H,12H2,1H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.840n/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))
BDBM116526
PNG
(US8637532, 212)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C26H25FN6O3/c1-29-13-21(33-25-19-8-4-7-18(24(28)34)23(19)30-14-31-25)15-5-3-6-17(11-15)32-26(35)16-9-10-22(36-2)20(27)12-16/h3-12,14,21,29H,13H2,1-2H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.990n/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))
BDBM116527
PNG
(US8637532, 213)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F4N6O2/c1-37(2)13-22(36-25-20-8-4-7-19(24(32)38)23(20)33-14-34-25)15-5-3-6-17(11-15)35-26(39)18-10-9-16(12-21(18)28)27(29,30)31/h3-12,14,22H,13H2,1-2H3,(H2,32,38)(H,35,39)(H,33,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116703
PNG
(US8637532, 409)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H27BrN6O/c1-33(2)15-23(32-26-22-8-4-7-21(25(28)34)24(22)30-16-31-26)18-5-3-6-20(13-18)29-14-17-9-11-19(27)12-10-17/h3-13,16,23,29H,14-15H2,1-2H3,(H2,28,34)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 31n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 35n/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))
BDBM116757
PNG
(US8637532, 471)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C29H31N7O2/c1-19(33-28-25-8-4-7-24(27(30)37)26(25)31-18-32-28)21-5-3-6-22(17-21)34-29(38)20-9-11-23(12-10-20)36-15-13-35(2)14-16-36/h3-12,17-19H,13-16H2,1-2H3,(H2,30,37)(H,34,38)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 57n/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))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59n/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))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 550n/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))
BDBM116508
PNG
(US8637532, 189)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C25H22F2N6O2/c1-29-12-21(33-24-18-7-3-6-17(23(28)34)22(18)30-13-31-24)14-4-2-5-16(10-14)32-25(35)15-8-9-19(26)20(27)11-15/h2-11,13,21,29H,12H2,1H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.440n/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))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.260n/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))
BDBM116513
PNG
(US8637532, 196)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN6O2/c1-28-13-21(32-24-20-7-3-6-19(23(27)33)22(20)29-14-30-24)16-4-2-5-18(12-16)31-25(34)15-8-10-17(26)11-9-15/h2-12,14,21,28H,13H2,1H3,(H2,27,33)(H,31,34)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.170n/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))
BDBM116514
PNG
(US8637532, 197)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H25BrN6O2/c1-33(2)14-22(32-25-21-8-4-7-20(24(28)34)23(21)29-15-30-25)17-5-3-6-19(13-17)31-26(35)16-9-11-18(27)12-10-16/h3-13,15,22H,14H2,1-2H3,(H2,28,34)(H,31,35)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.580n/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))
BDBM116521
PNG
(US8637532, 207)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
Show InChI InChI=1S/C25H24ClN7O2/c1-33(2)13-20(32-24-19-8-4-7-18(23(27)34)22(19)29-14-30-24)15-5-3-6-17(11-15)31-25(35)16-9-10-28-21(26)12-16/h3-12,14,20H,13H2,1-2H3,(H2,27,34)(H,31,35)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM116522
PNG
(US8637532, 208)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H24N6O2/c1-27-14-21(31-24-20-12-6-11-19(23(26)32)22(20)28-15-29-24)17-9-5-10-18(13-17)30-25(33)16-7-3-2-4-8-16/h2-13,15,21,27H,14H2,1H3,(H2,26,32)(H,30,33)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.740n/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))
BDBM116523
PNG
(US8637532, 209)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C25H22F2N6O2/c1-29-12-20(33-24-17-8-3-7-16(23(28)34)22(17)30-13-31-24)14-5-2-6-15(11-14)32-25(35)21-18(26)9-4-10-19(21)27/h2-11,13,20,29H,12H2,1H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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))
BDBM116526
PNG
(US8637532, 212)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
Show InChI InChI=1S/C26H25FN6O3/c1-29-13-21(33-25-19-8-4-7-18(24(28)34)23(19)30-14-31-25)15-5-3-6-17(11-15)32-26(35)16-9-10-22(36-2)20(27)12-16/h3-12,14,21,29H,13H2,1-2H3,(H2,28,34)(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM116527
PNG
(US8637532, 213)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F4N6O2/c1-37(2)13-22(36-25-20-8-4-7-19(24(32)38)23(20)33-14-34-25)15-5-3-6-17(11-15)35-26(39)18-10-9-16(12-21(18)28)27(29,30)31/h3-12,14,22H,13H2,1-2H3,(H2,32,38)(H,35,39)(H,33,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.25n/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))
BDBM116703
PNG
(US8637532, 409)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H27BrN6O/c1-33(2)15-23(32-26-22-8-4-7-21(25(28)34)24(22)30-16-31-26)18-5-3-6-20(13-18)29-14-17-9-11-19(27)12-10-17/h3-13,16,23,29H,14-15H2,1-2H3,(H2,28,34)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.20n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.370n/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))
BDBM116757
PNG
(US8637532, 471)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C29H31N7O2/c1-19(33-28-25-8-4-7-24(27(30)37)26(25)31-18-32-28)21-5-3-6-22(17-21)34-29(38)20-9-11-23(12-10-20)36-15-13-35(2)14-16-36/h3-12,17-19H,13-16H2,1-2H3,(H2,30,37)(H,34,38)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.80n/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))
BDBM116760
PNG
(US8637532, 474)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncnc2)c1
Show InChI InChI=1S/C22H19N7O2/c1-13(28-21-18-7-3-6-17(20(23)30)19(18)26-12-27-21)14-4-2-5-16(8-14)29-22(31)15-9-24-11-25-10-15/h2-13H,1H3,(H2,23,30)(H,29,31)(H,26,27,28)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.10n/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))
BDBM116962
PNG
(US8637532, 689)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4F)c3)ncnc12
Show InChI InChI=1S/C23H18FN5O2/c24-19-10-2-1-7-16(19)23(31)29-15-6-3-5-14(11-15)12-26-22-18-9-4-8-17(21(25)30)20(18)27-13-28-22/h1-11,13H,12H2,(H2,25,30)(H,29,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0460n/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))
BDBM116950
PNG
(US8637532, 677)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
Show InChI InChI=1S/C27H28N6O2/c1-17(31-26-23-9-5-8-22(25(28)34)24(23)29-16-30-26)20-6-4-7-21(14-20)32-27(35)19-12-10-18(11-13-19)15-33(2)3/h4-14,16-17H,15H2,1-3H3,(H2,28,34)(H,32,35)(H,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.620n/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))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.550n/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