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BDBM50053303 CHEMBL3321770

SMILES: COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=FLDLNYXMGZXDNZ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50053303   
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))
BDBM50053303
PNG
(CHEMBL3321770)
Show SMILES COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-5-2-4-14(10-15)20-13-31(30-29-20)18-8-9-21(32)19(12-18)22(33)28-17-7-3-6-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.32E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
BindingDB Entry DOI: 10.7270/Q2PV6N11
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50053303
PNG
(CHEMBL3321770)
Show SMILES COC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-5-2-4-14(10-15)20-13-31(30-29-20)18-8-9-21(32)19(12-18)22(33)28-17-7-3-6-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs


Bioorg Med Chem 22: 4855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.06.047
BindingDB Entry DOI: 10.7270/Q2PV6N11
More data for this
Ligand-Target Pair