BindingDB logo
myBDB logout

38 similar compounds to monomer 116510

Compile data set for download or QSAR
Wt: 321.3
BDBM116324
Wt: 411.4
BDBM116924
Wt: 307.3
BDBM116965
Wt: 306.3
BDBM116696
Wt: 314.2
BDBM116704
Wt: 278.3
BDBM116442
Wt: 296.2
BDBM116446
Wt: 347.1
BDBM116448
Wt: 308.3
BDBM116449
Wt: 328.3
BDBM116450
Wt: 292.3
BDBM116451
Wt: 296.2
BDBM116452
Wt: 346.3
BDBM116453
Wt: 292.3
BDBM116454
Wt: 312.7
BDBM116460
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 116324,116924,116965,116696,116704,116442,116446,116448,116449,116450,116451,116452,116453,116454,116460   
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))
BDBM116324
PNG
(US8637532, 5)
Show SMILES Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O/c1-11-5-7-12(8-6-11)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/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))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(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 0.0610n/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))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 31.6n/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))
BDBM116448
PNG
(US8637532, 129)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C16H12Cl2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/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))
BDBM116449
PNG
(US8637532, 130)
Show SMILES COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-7-5-11(6-8-12)9-19-17-14-4-2-3-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/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))
BDBM116450
PNG
(US8637532, 131)
Show SMILES NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C20H16N4O/c21-19(25)16-9-4-10-17-18(16)23-12-24-20(17)22-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,25)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 61.5n/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))
BDBM116451
PNG
(US8637532, 132)
Show SMILES C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.84E+3n/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))
BDBM116452
PNG
(US8637532, 133)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-6-4-10(5-7-11)8-19-16-13-3-1-2-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 43.1n/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))
BDBM116453
PNG
(US8637532, 134)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.3n/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))
BDBM116454
PNG
(US8637532, 135)
Show SMILES Cc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C17H16N4O/c1-11-5-2-3-6-12(11)9-19-17-14-8-4-7-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 321n/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))
BDBM116460
PNG
(US8637532, 141)
Show SMILES NC(=O)c1cccc2c(NCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C16H13ClN4O/c17-13-7-2-1-4-10(13)8-19-16-12-6-3-5-11(15(18)22)14(12)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 243n/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))
BDBM116696
PNG
(US8637532, 400)
Show SMILES Cc1cc(C)cc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C18H18N4O/c1-11-6-12(2)8-13(7-11)9-20-18-15-5-3-4-14(17(19)23)16(15)21-10-22-18/h3-8,10H,9H2,1-2H3,(H2,19,23)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/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))
BDBM116704
PNG
(US8637532, 411)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
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))
BDBM116965
PNG
(US8637532, 692)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1
Show InChI InChI=1S/C17H17N5O/c1-10(11-4-2-5-12(18)8-11)22-17-14-7-3-6-13(16(19)23)15(14)20-9-21-17/h2-10H,18H2,1H3,(H2,19,23)(H,20,21,22)/t10-/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 120n/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))
BDBM116453
PNG
(US8637532, 134)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.7n/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))
BDBM116324
PNG
(US8637532, 5)
Show SMILES Cc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O/c1-11-5-7-12(8-6-11)15(9-19)23-18-14-4-2-3-13(17(20)24)16(14)21-10-22-18/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 660n/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))
BDBM116442
PNG
(US8637532, 123)
Show SMILES NC(=O)c1cccc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C16H14N4O/c17-15(21)12-7-4-8-13-14(12)19-10-20-16(13)18-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,21)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.30E+3n/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))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 760n/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))
BDBM116448
PNG
(US8637532, 129)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C16H12Cl2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 130n/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))
BDBM116449
PNG
(US8637532, 130)
Show SMILES COc1ccc(CNc2ncnc3c(cccc23)C(N)=O)cc1
Show InChI InChI=1S/C17H16N4O2/c1-23-12-7-5-11(6-8-12)9-19-17-14-4-2-3-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 230n/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))
BDBM116450
PNG
(US8637532, 131)
Show SMILES NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C20H16N4O/c21-19(25)16-9-4-10-17-18(16)23-12-24-20(17)22-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,25)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/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))
BDBM116451
PNG
(US8637532, 132)
Show SMILES C[C@H](Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-11(12-6-3-2-4-7-12)21-17-14-9-5-8-13(16(18)22)15(14)19-10-20-17/h2-11H,1H3,(H2,18,22)(H,19,20,21)/t11-/m0/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 410n/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))
BDBM116452
PNG
(US8637532, 133)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-6-4-10(5-7-11)8-19-16-13-3-1-2-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 92n/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))
BDBM116453
PNG
(US8637532, 134)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM116454
PNG
(US8637532, 135)
Show SMILES Cc1ccccc1CNc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C17H16N4O/c1-11-5-2-3-6-12(11)9-19-17-14-8-4-7-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.80E+3n/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))
BDBM116460
PNG
(US8637532, 141)
Show SMILES NC(=O)c1cccc2c(NCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C16H13ClN4O/c17-13-7-2-1-4-10(13)8-19-16-12-6-3-5-11(15(18)22)14(12)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM116704
PNG
(US8637532, 411)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
Show InChI InChI=1S/C16H12F2N4O/c17-12-5-4-9(6-13(12)18)7-20-16-11-3-1-2-10(15(19)23)14(11)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 430n/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))
BDBM116924
PNG
(US8637532, 651)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C24H21N5O2/c1-15-5-2-7-17(11-15)24(31)29-18-8-3-6-16(12-18)13-26-23-20-10-4-9-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(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 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))
BDBM116965
PNG
(US8637532, 692)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(N)c1
Show InChI InChI=1S/C17H17N5O/c1-10(11-4-2-5-12(18)8-11)22-17-14-7-3-6-13(16(19)23)15(14)20-9-21-17/h2-10H,18H2,1H3,(H2,19,23)(H,20,21,22)/t10-/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 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 B


(Homo sapiens (Human))
BDBM116446
PNG
(US8637532, 127)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H13FN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.5n/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))
BDBM116450
PNG
(US8637532, 131)
Show SMILES NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C20H16N4O/c21-19(25)16-9-4-10-17-18(16)23-12-24-20(17)22-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,25)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 388n/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))
BDBM116442
PNG
(US8637532, 123)
Show SMILES NC(=O)c1cccc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C16H14N4O/c17-15(21)12-7-4-8-13-14(12)19-10-20-16(13)18-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,21)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 61.5n/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