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BDBM116550 US8637532, 241

SMILES: CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O

InChI Key: InChIKey=TUVCZMWCKOCSGF-CQSZACIVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116550   
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))
BDBM116550
PNG
(US8637532, 241)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.0300n/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))
BDBM116550
PNG
(US8637532, 241)
Show SMILES CC(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[C@@H](C)Nc1ncnc2c(cccc12)C(N)=O
Show InChI InChI=1S/C24H25N7O2/c1-13(2)19-11-20(31-30-19)24(33)29-16-7-4-6-15(10-16)14(3)28-23-18-9-5-8-17(22(25)32)21(18)26-12-27-23/h4-14H,1-3H3,(H2,25,32)(H,29,33)(H,30,31)(H,26,27,28)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.40n/an/an/an/an/an/a



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