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BDBM116894 US8637532, 620

SMILES: NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12

InChI Key: InChIKey=WHLKRBBRZJQSQQ-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 = 116894   
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))
BDBM116894
PNG
(US8637532, 620)
Show SMILES NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
Show InChI InChI=1S/C22H18N6O2/c23-20(29)17-7-2-8-18-19(17)26-13-27-21(18)28-16-6-1-4-14(10-16)11-25-22(30)15-5-3-9-24-12-15/h1-10,12-13H,11H2,(H2,23,29)(H,25,30)(H,26,27,28)
PDB
MMDB

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antibodypedia
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PC cid
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Similars

US Patent
n/an/a 1.60E+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))
BDBM116894
PNG
(US8637532, 620)
Show SMILES NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
Show InChI InChI=1S/C22H18N6O2/c23-20(29)17-7-2-8-18-19(17)26-13-27-21(18)28-16-6-1-4-14(10-16)11-25-22(30)15-5-3-9-24-12-15/h1-10,12-13H,11H2,(H2,23,29)(H,25,30)(H,26,27,28)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 170n/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/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM116894
PNG
(US8637532, 620)
Show SMILES NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
Show InChI InChI=1S/C22H18N6O2/c23-20(29)17-7-2-8-18-19(17)26-13-27-21(18)28-16-6-1-4-14(10-16)11-25-22(30)15-5-3-9-24-12-15/h1-10,12-13H,11H2,(H2,23,29)(H,25,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/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