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BDBM116639 US8637532, 338

SMILES: COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O

InChI Key: InChIKey=LDFNTCCSAZUOGI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116639   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM116639
PNG
(US8637532, 338)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0900n/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))
BDBM116639
PNG
(US8637532, 338)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(CCO)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C26H25N5O4/c1-35-19-10-8-16(9-11-19)26(34)30-18-5-2-4-17(14-18)22(12-13-32)31-25-21-7-3-6-20(24(27)33)23(21)28-15-29-25/h2-11,14-15,22,32H,12-13H2,1H3,(H2,27,33)(H,30,34)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/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