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BDBM26285 N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 19

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO

InChI Key: InChIKey=KALSMXLQRKFVPO-SFHVURJKSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26285   
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 A


(Homo sapiens (human))
BDBM26285
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
39 -10.1n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM26285
PNG
(N-(2,3-difluorophenyl)-2-{3-[(7-{3-[(2S)-2-(hydrox...)
Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO
Show InChI InChI=1S/C28H31F2N7O4/c1-40-23-13-19-22(14-24(23)41-10-4-9-37-8-3-5-18(37)15-38)31-16-32-28(19)34-25-11-17(35-36-25)12-26(39)33-21-7-2-6-20(29)27(21)30/h2,6-7,11,13-14,16,18,38H,3-5,8-10,12,15H2,1H3,(H,33,39)(H2,31,32,34,35,36)/t18-/m0/s1
PDB

Reactome pathway
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