BindingDB logo
myBDB logout

4 similar compounds to monomer 116779

Compile data set for download or QSAR
Wt: 401.4
BDBM116921
Wt: 455.3
BDBM116725
Wt: 451.4
BDBM116614
Wt: 469.4
BDBM116645

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 116921,116725,116614,116645   
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))
BDBM116614
PNG
(US8637532, 308)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
Show InChI InChI=1S/C22H19F2N7O2/c1-11(28-21-15-7-3-6-14(20(25)32)18(15)26-10-27-21)12-4-2-5-13(8-12)29-22(33)17-9-16(19(23)24)30-31-17/h2-11,19H,1H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/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))
BDBM116645
PNG
(US8637532, 344)
Show SMILES C[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)(F)F)c1
Show InChI InChI=1S/C22H18F3N7O2/c1-11(29-20-15-7-3-6-14(19(26)33)18(15)27-10-28-20)12-4-2-5-13(8-12)30-21(34)16-9-17(32-31-16)22(23,24)25/h2-11H,1H3,(H2,26,33)(H,30,34)(H,31,32)(H,27,28,29)/t11-/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 18n/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))
BDBM116725
PNG
(US8637532, 434)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C21H16F3N7O2/c22-21(23,24)16-8-15(30-31-16)20(33)29-12-4-1-3-11(7-12)9-26-19-14-6-2-5-13(18(25)32)17(14)27-10-28-19/h1-8,10H,9H2,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38n/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))
BDBM116921
PNG
(US8637532, 648)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C21H19N7O2/c1-12-8-17(28-27-12)21(30)26-14-5-2-4-13(9-14)10-23-20-16-7-3-6-15(19(22)29)18(16)24-11-25-20/h2-9,11H,10H2,1H3,(H2,22,29)(H,26,30)(H,27,28)(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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
Aurora kinase A


(Homo sapiens (Human))
BDBM116725
PNG
(US8637532, 434)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C21H16F3N7O2/c22-21(23,24)16-8-15(30-31-16)20(33)29-12-4-1-3-11(7-12)9-26-19-14-6-2-5-13(18(25)32)17(14)27-10-28-19/h1-8,10H,9H2,(H2,25,32)(H,29,33)(H,30,31)(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 0.220n/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))
BDBM116921
PNG
(US8637532, 648)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
Show InChI InChI=1S/C21H19N7O2/c1-12-8-17(28-27-12)21(30)26-14-5-2-4-13(9-14)10-23-20-16-7-3-6-15(19(22)29)18(16)24-11-25-20/h2-9,11H,10H2,1H3,(H2,22,29)(H,26,30)(H,27,28)(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 0.470n/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))
BDBM116725
PNG
(US8637532, 434)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(n[nH]4)C(F)(F)F)c3)ncnc12
Show InChI InChI=1S/C21H16F3N7O2/c22-21(23,24)16-8-15(30-31-16)20(33)29-12-4-1-3-11(7-12)9-26-19-14-6-2-5-13(18(25)32)17(14)27-10-28-19/h1-8,10H,9H2,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.510n/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))
BDBM116614
PNG
(US8637532, 308)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2cc(n[nH]2)C(F)F)c1
Show InChI InChI=1S/C22H19F2N7O2/c1-11(28-21-15-7-3-6-14(20(25)32)18(15)26-10-27-21)12-4-2-5-13(8-12)29-22(33)17-9-16(19(23)24)30-31-17/h2-11,19H,1H3,(H2,25,32)(H,29,33)(H,30,31)(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 0.200n/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