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BDBM50389245 CHEMBL2063457

SMILES: Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1

InChI Key: InChIKey=FLYCRDMYTAJQRM-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50389245   
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))
BDBM50389245
PNG
(CHEMBL2063457)
Show SMILES Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C23H21FN6O2/c1-30-19-10-4-9-18(20(19)21(25)29-30)22(31)27-16-7-2-5-14(11-16)13-26-23(32)28-17-8-3-6-15(24)12-17/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.125
BindingDB Entry DOI: 10.7270/Q2T154RT
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389245
PNG
(CHEMBL2063457)
Show SMILES Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C23H21FN6O2/c1-30-19-10-4-9-18(20(19)21(25)29-30)22(31)27-16-7-2-5-14(11-16)13-26-23(32)28-17-8-3-6-15(24)12-17/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 938n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4528-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.125
BindingDB Entry DOI: 10.7270/Q2T154RT
More data for this
Ligand-Target Pair