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BDBM26291 N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(methyl)amino]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 25

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO

InChI Key: InChIKey=RGCULYFIEIGHSJ-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26291   
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))
BDBM26291
PNG
(N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(m...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
Show InChI InChI=1S/C26H30FN7O4/c1-34(8-9-35)7-4-10-38-23-15-21-20(14-22(23)37-2)26(29-16-28-21)31-24-12-19(32-33-24)13-25(36)30-18-6-3-5-17(27)11-18/h3,5-6,11-12,14-16,35H,4,7-10,13H2,1-2H3,(H,30,36)(H2,28,29,31,32,33)
PDB

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PC cid
PC sid
UniChem

Similars

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))
BDBM26291
PNG
(N-(3-fluorophenyl)-2-{3-[(7-{3-[(2-hydroxyethyl)(m...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
Show InChI InChI=1S/C26H30FN7O4/c1-34(8-9-35)7-4-10-38-23-15-21-20(14-22(23)37-2)26(29-16-28-21)31-24-12-19(32-33-24)13-25(36)30-18-6-3-5-17(27)11-18/h3,5-6,11-12,14-16,35H,4,7-10,13H2,1-2H3,(H,30,36)(H2,28,29,31,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/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