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BDBM116507 US8637532, 188

SMILES: COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1

InChI Key: InChIKey=HNAFGFOVDGEYQN-OAHLLOKOSA-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 = 116507   
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))
BDBM116507
PNG
(US8637532, 188)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

n/an/a 48n/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))
BDBM116507
PNG
(US8637532, 188)
Show SMILES COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
Show InChI InChI=1S/C18H19N5O2/c1-25-12-7-13(17(20)24)16-14(8-12)18(22-10-21-16)23-15(9-19)11-5-3-2-4-6-11/h2-8,10,15H,9,19H2,1H3,(H2,20,24)(H,21,22,23)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.390n/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