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BDBM26277 N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 11

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1

InChI Key: InChIKey=LNXKRNKFQNYAGZ-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 26277   
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))
BDBM26277
PNG
(N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-25-14-23-24(15-26(25)42-8-2-5-38-6-3-18(16-39)4-7-38)32-17-33-29(23)35-27-12-22(36-37-27)13-28(40)34-21-10-19(30)9-20(31)11-21/h9-12,14-15,17-18,39H,2-8,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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))
BDBM26277
PNG
(N-(3,5-difluorophenyl)-2-{3-[(7-{3-[4-(hydroxymeth...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H33F2N7O4/c1-41-25-14-23-24(15-26(25)42-8-2-5-38-6-3-18(16-39)4-7-38)32-17-33-29(23)35-27-12-22(36-37-27)13-28(40)34-21-10-19(30)9-20(31)11-21/h9-12,14-15,17-18,39H,2-8,13,16H2,1H3,(H,34,40)(H2,32,33,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
230 -9.05n/an/an/an/an/an/a25



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