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BDBM116598 US8637532, 292

SMILES: COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O

InChI Key: InChIKey=GTUAZZUFAUMXII-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 116598   
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))
BDBM116598
PNG
(US8637532, 292)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/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))
BDBM116598
PNG
(US8637532, 292)
Show SMILES COc1ccc(cn1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H22N6O3/c1-14(29-23-19-8-4-7-18(22(25)31)21(19)27-13-28-23)15-5-3-6-17(11-15)30-24(32)16-9-10-20(33-2)26-12-16/h3-14H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.20n/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