BindingDB logo
myBDB logout

22 molecules are shown

Compile data set for download or QSAR
Wt: 497.4
BDBM116571
Wt: 459.9
BDBM116584
Wt: 466.3
BDBM116673
Wt: 480.4
BDBM116678
Wt: 454.5
BDBM116682
Wt: 465.4
BDBM116371
Wt: 465.4
BDBM116372
<<  First   |  Previous   |  Displayed 16 to 22 (of 22 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 116571,116584,116673,116678,116682,116371,116372   
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))
BDBM116371
PNG
(US8637532, 52)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-6-2-5-15(11-16)23(34)32-17-7-1-4-14(10-17)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(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 30.7n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM116372
PNG
(US8637532, 53)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-4-1-3-15(11-16)23(34)32-17-9-7-14(8-10-17)12-29-22-19-6-2-5-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(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 1.31E+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))
BDBM116571
PNG
(US8637532, 263)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1
Show InChI InChI=1S/C25H19F4N5O2/c1-13(33-23-18-7-3-6-17(22(30)35)21(18)31-12-32-23)14-4-2-5-16(10-14)34-24(36)19-11-15(25(27,28)29)8-9-20(19)26/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/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 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))
BDBM116584
PNG
(US8637532, 276)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1
Show InChI InChI=1S/C25H22ClN5O2/c1-14-11-17(9-10-21(14)26)25(33)31-18-6-3-5-16(12-18)15(2)30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24/h3-13,15H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/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 7.10n/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))
BDBM116678
PNG
(US8637532, 381)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cncc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-13(32-22-19-7-3-6-18(21(28)34)20(19)30-12-31-22)14-4-2-5-17(9-14)33-23(35)15-8-16(11-29-10-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)/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 25n/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))
BDBM116682
PNG
(US8637532, 385)
Show SMILES CN(C)Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H26N6O2/c1-32(2)15-18-7-3-8-19(12-18)26(34)31-20-9-4-6-17(13-20)14-28-25-22-11-5-10-21(24(27)33)23(22)29-16-30-25/h3-13,16H,14-15H2,1-2H3,(H2,27,33)(H,31,34)(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/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))
BDBM116673
PNG
(US8637532, 375)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-18-8-7-14(10-19(18)25)23(32)30-15-4-1-3-13(9-15)11-27-22-17-6-2-5-16(21(26)31)20(17)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/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))
BDBM116371
PNG
(US8637532, 52)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-6-2-5-15(11-16)23(34)32-17-7-1-4-14(10-17)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(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 1.20E+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))
BDBM116372
PNG
(US8637532, 53)
Show SMILES NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C24H18F3N5O2/c25-24(26,27)16-4-1-3-15(11-16)23(34)32-17-9-7-14(8-10-17)12-29-22-19-6-2-5-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(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 210n/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))
BDBM116571
PNG
(US8637532, 263)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1
Show InChI InChI=1S/C25H19F4N5O2/c1-13(33-23-18-7-3-6-17(22(30)35)21(18)31-12-32-23)14-4-2-5-16(10-14)34-24(36)19-11-15(25(27,28)29)8-9-20(19)26/h2-13H,1H3,(H2,30,35)(H,34,36)(H,31,32,33)/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 0.110n/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))
BDBM116584
PNG
(US8637532, 276)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1
Show InChI InChI=1S/C25H22ClN5O2/c1-14-11-17(9-10-21(14)26)25(33)31-18-6-3-5-16(12-18)15(2)30-24-20-8-4-7-19(23(27)32)22(20)28-13-29-24/h3-13,15H,1-2H3,(H2,27,32)(H,31,33)(H,28,29,30)/t15-/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 0.380n/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))
BDBM116673
PNG
(US8637532, 375)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-18-8-7-14(10-19(18)25)23(32)30-15-4-1-3-13(9-15)11-27-22-17-6-2-5-16(21(26)31)20(17)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.290n/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))
BDBM116682
PNG
(US8637532, 385)
Show SMILES CN(C)Cc1cccc(c1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C26H26N6O2/c1-32(2)15-18-7-3-8-19(12-18)26(34)31-20-9-4-6-17(13-20)14-28-25-22-11-5-10-21(24(27)33)23(22)29-16-30-25/h3-13,16H,14-15H2,1-2H3,(H2,27,33)(H,31,34)(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 22n/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))
BDBM116673
PNG
(US8637532, 375)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
Show InChI InChI=1S/C23H17Cl2N5O2/c24-18-8-7-14(10-19(18)25)23(32)30-15-4-1-3-13(9-15)11-27-22-17-6-2-5-16(21(26)31)20(17)28-12-29-22/h1-10,12H,11H2,(H2,26,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24n/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