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BDBM116717 US8637532, 426

SMILES: CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O

InChI Key: InChIKey=PUFIZMIVJDQOHA-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 = 116717   
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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
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PC cid
PC sid
UniChem

Similars

n/an/a 35n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
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PC sid
UniChem

Similars

n/an/a 0.0460n/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))
BDBM116717
PNG
(US8637532, 426)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)C(C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C28H30N6O2/c1-4-34(5-2)22-14-12-19(13-15-22)28(36)33-21-9-6-8-20(16-21)18(3)32-27-24-11-7-10-23(26(29)35)25(24)30-17-31-27/h6-18H,4-5H2,1-3H3,(H2,29,35)(H,33,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.370n/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