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BDBM116813 US8637532, 539

SMILES: NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12

InChI Key: InChIKey=XWICEOXKSZMQJY-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 = 116813   
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 B


(Homo sapiens (Human))
BDBM116813
PNG
(US8637532, 539)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
Show InChI InChI=1S/C21H18N6O/c22-20(28)16-7-4-8-17-19(16)25-13-26-21(17)24-12-14-5-3-6-15(11-14)27-18-9-1-2-10-23-18/h1-11,13H,12H2,(H2,22,28)(H,23,27)(H,24,25,26)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.940n/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))
BDBM116813
PNG
(US8637532, 539)
Show SMILES NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
Show InChI InChI=1S/C21H18N6O/c22-20(28)16-7-4-8-17-19(16)25-13-26-21(17)24-12-14-5-3-6-15(11-14)27-18-9-1-2-10-23-18/h1-11,13H,12H2,(H2,22,28)(H,23,27)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.150n/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