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BDBM50097418 CHEMBL41816

SMILES: Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1

InChI Key: InChIKey=FBRAIVNJLBZIIY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50097418   
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))
BDBM50097418
PNG
(CHEMBL41816)
Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6|
Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of aurora kinase B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence analysis


ACS Med Chem Lett 6: 630-4 (2015)


Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM50097418
PNG
(CHEMBL41816)
Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6|
Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP


ACS Med Chem Lett 6: 630-4 (2015)


Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50097418
PNG
(CHEMBL41816)
Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6|
Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of aurora kinase A autophosphorylation at T288 in human HCT116 cells by immunofluorescence analysis


ACS Med Chem Lett 6: 630-4 (2015)


Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V
More data for this
Ligand-Target Pair