BindingDB logo
myBDB logout

50 similar compounds to monomer 116384

Compile data set for download or QSAR
Wt: 376.2
BDBM116321
Wt: 341.7
BDBM116323
Wt: 321.3
BDBM116324
Wt: 361.4
BDBM116792
Wt: 307.3
BDBM116965
Wt: 339.3
BDBM117012
Wt: 347.4
BDBM116693
Wt: 306.3
BDBM116696
Wt: 363.4
BDBM116701
Wt: 337.3
BDBM116415
Wt: 325.3
BDBM116435
Wt: 337.3
BDBM116438
Wt: 278.3
BDBM116442
Wt: 328.3
BDBM116450
Wt: 292.3
BDBM116451
Displayed 1 to 15 (of 50 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 116321,116323,116324,116792,116965,117012,116693,116696,116701,116415,116435,116438,116442,116450,116451   
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))
BDBM116321
PNG
(US8637532, 2)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N5O/c18-12-5-4-9(6-13(12)19)14(7-20)24-17-11-3-1-2-10(16(21)25)15(11)22-8-23-17/h1-6,8,14H,7,20H2,(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 0.5n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/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))
BDBM116415
PNG
(US8637532, 96)
Show SMILES COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)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 0.700n/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))
BDBM116435
PNG
(US8637532, 116)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C17H16FN5O/c18-11-4-1-3-10(7-11)14(8-19)23-17-13-6-2-5-12(16(20)24)15(13)21-9-22-17/h1-7,9,14H,8,19H2,(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 0.5n/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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,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 5.70n/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))
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
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))
BDBM116693
PNG
(US8637532, 397)
Show SMILES NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-22-14-9-10-14)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)/t17-/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 28n/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))
BDBM116701
PNG
(US8637532, 406)
Show SMILES CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-12-26(2)13-18(15-8-5-4-6-9-15)25-21-17-11-7-10-16(20(22)27)19(17)23-14-24-21/h4-11,14,18H,3,12-13H2,1-2H3,(H2,22,27)(H,23,24,25)
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))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/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 84n/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))
BDBM117012
PNG
(US8637532, 739)
Show SMILES CNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C18H18FN5O/c1-21-9-15(11-4-2-5-12(19)8-11)24-18-14-7-3-6-13(17(20)25)16(14)22-10-23-18/h2-8,10,15,21H,9H2,1H3,(H2,20,25)(H,22,23,24)/t15-/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 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 A


(Homo sapiens (Human))
BDBM116321
PNG
(US8637532, 2)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N5O/c18-12-5-4-9(6-13(12)19)14(7-20)24-17-11-3-1-2-10(16(21)25)15(11)22-8-23-17/h1-6,8,14H,7,20H2,(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 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))
BDBM116323
PNG
(US8637532, 4)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN5O/c18-11-4-1-3-10(7-11)14(8-19)23-17-13-6-2-5-12(16(20)24)15(13)21-9-22-17/h1-7,9,14H,8,19H2,(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 4.90E+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))
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))
BDBM116415
PNG
(US8637532, 96)
Show SMILES COc1ccc(cc1)C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-5-11(6-8-12)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 2.00E+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))
BDBM116435
PNG
(US8637532, 116)
Show SMILES NCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Show InChI InChI=1S/C17H16FN5O/c18-11-4-1-3-10(7-11)14(8-19)23-17-13-6-2-5-12(16(20)24)15(13)21-9-22-17/h1-7,9,14H,8,19H2,(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 280n/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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,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 1.50E+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))
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))
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))
BDBM116693
PNG
(US8637532, 397)
Show SMILES NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17(11-22-14-9-10-14)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)/t17-/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 460n/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))
BDBM116701
PNG
(US8637532, 406)
Show SMILES CCCN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-12-26(2)13-18(15-8-5-4-6-9-15)25-21-17-11-7-10-16(20(22)27)19(17)23-14-24-21/h4-11,14,18H,3,12-13H2,1-2H3,(H2,22,27)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 390n/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))
BDBM116792
PNG
(US8637532, 511)
Show SMILES NC(=O)c1cccc2c(N[C@H](CN3CCCC3)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H23N5O/c22-20(27)16-9-6-10-17-19(16)23-14-24-21(17)25-18(13-26-11-4-5-12-26)15-7-2-1-3-8-15/h1-3,6-10,14,18H,4-5,11-13H2,(H2,22,27)(H,23,24,25)/t18-/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 690n/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))
BDBM116438
PNG
(US8637532, 119)
Show SMILES COc1ccccc1C(CN)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H19N5O2/c1-25-15-8-3-2-5-11(15)14(9-19)23-18-13-7-4-6-12(17(20)24)16(13)21-10-22-18/h2-8,10,14H,9,19H2,1H3,(H2,20,24)(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 48n/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))
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