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BDBM26296 CHEMBL216053::N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(2-methylpropyl)amino]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 30

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C

InChI Key: InChIKey=GTEPNHLYGWAOMI-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 26296   
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))
BDBM26296
PNG
(CHEMBL216053 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
Show InChI InChI=1S/C29H35F2N7O4/c1-18(2)16-38(9-10-39)8-5-11-42-25-15-23-20(14-24(25)41-3)29(33-17-32-23)35-26-12-19(36-37-26)13-27(40)34-22-7-4-6-21(30)28(22)31/h4,6-7,12,14-15,17-18,39H,5,8-11,13,16H2,1-3H3,(H,34,40)(H2,32,33,35,36,37)
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Article
PubMed
<1<-12.1n/an/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM26296
PNG
(CHEMBL216053 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
Show InChI InChI=1S/C29H35F2N7O4/c1-18(2)16-38(9-10-39)8-5-11-42-25-15-23-20(14-24(25)41-3)29(33-17-32-23)35-26-12-19(36-37-26)13-27(40)34-22-7-4-6-21(30)28(22)31/h4,6-7,12,14-15,17-18,39H,5,8-11,13,16H2,1-3H3,(H,34,40)(H2,32,33,35,36,37)
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18n/an/an/an/an/an/an/an/a



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM26296
PNG
(CHEMBL216053 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
Show InChI InChI=1S/C29H35F2N7O4/c1-18(2)16-38(9-10-39)8-5-11-42-25-15-23-20(14-24(25)41-3)29(33-17-32-23)35-26-12-19(36-37-26)13-27(40)34-22-7-4-6-21(30)28(22)31/h4,6-7,12,14-15,17-18,39H,5,8-11,13,16H2,1-3H3,(H,34,40)(H2,32,33,35,36,37)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair