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BDBM26280 2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-nitrophenyl)acetamide::pyrazoloquinazoline deriv., 14

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1

InChI Key: InChIKey=PJXJTLKNCJRPQT-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26280   
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))
BDBM26280
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34N8O6/c1-42-25-15-23-24(16-26(25)43-11-3-8-36-9-6-19(17-38)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(12-20)37(40)41/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
39 -10.0n/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))
BDBM26280
PNG
(2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
Show InChI InChI=1S/C29H34N8O6/c1-42-25-15-23-24(16-26(25)43-11-3-8-36-9-6-19(17-38)7-10-36)30-18-31-29(23)33-27-13-21(34-35-27)14-28(39)32-20-4-2-5-22(12-20)37(40)41/h2,4-5,12-13,15-16,18-19,38H,3,6-11,14,17H2,1H3,(H,32,39)(H2,30,31,33,34,35)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
890n/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