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BDBM26282 2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-methoxyphenyl)acetamide::pyrazoloquinazoline deriv., 16

SMILES: COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1

InChI Key: InChIKey=SJJYWHYLVWAUQL-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 = 26282   
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))
BDBM26282
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
Show InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-14-28(36-35-22)34-30-24-16-26(41-2)27(17-25(24)31-19-32-30)42-12-4-9-37-10-7-20(18-38)8-11-37/h3,5-6,13-14,16-17,19-20,38H,4,7-12,15,18H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
9 -10.9n/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))
BDBM26282
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
Show InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-14-28(36-35-22)34-30-24-16-26(41-2)27(17-25(24)31-19-32-30)42-12-4-9-37-10-7-20(18-38)8-11-37/h3,5-6,13-14,16-17,19-20,38H,4,7-12,15,18H2,1-2H3,(H,33,39)(H2,31,32,34,35,36)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/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