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BDBM116461 US8637532, 142

SMILES: NC(=O)c1cccc2c(NCc3ccccn3)ncnc12

InChI Key: InChIKey=JJYFOCBPTKJASK-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116461   
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))
BDBM116461
PNG
(US8637532, 142)
Show SMILES NC(=O)c1cccc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C15H13N5O/c16-14(21)11-5-3-6-12-13(11)19-9-20-15(12)18-8-10-4-1-2-7-17-10/h1-7,9H,8H2,(H2,16,21)(H,18,19,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+4n/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))
BDBM116461
PNG
(US8637532, 142)
Show SMILES NC(=O)c1cccc2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C15H13N5O/c16-14(21)11-5-3-6-12-13(11)19-9-20-15(12)18-8-10-4-1-2-7-17-10/h1-7,9H,8H2,(H2,16,21)(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 2.45E+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