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BDBM116925 US8637532, 652

SMILES: COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1

InChI Key: InChIKey=OVWZZXGBBZJATH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 116925   
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))
BDBM116925
PNG
(US8637532, 652)
Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+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
Aurora kinase B


(Homo sapiens (Human))
BDBM116925
PNG
(US8637532, 652)
Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70n/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))
BDBM116925
PNG
(US8637532, 652)
Show SMILES COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
Show InChI InChI=1S/C27H27N5O5/c1-35-10-11-37-21-13-22(25(28)33)24-23(14-21)26(31-16-30-24)29-15-17-4-3-5-19(12-17)32-27(34)18-6-8-20(36-2)9-7-18/h3-9,12-14,16H,10-11,15H2,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0600n/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