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1 similar compounds to monomer 31837

Compile data set for download or QSAR
Wt: 602.0
BDBM31836
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31836   
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))
BDBM31836
PNG
(2,4-Bisanilinopyrimidine, 9)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)
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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
BindingDB Entry DOI: 10.7270/Q2M90706
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31836
PNG
(2,4-Bisanilinopyrimidine, 9)
Show SMILES CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)
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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 4.30n/an/an/an/a7.522



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
BindingDB Entry DOI: 10.7270/Q2M90706
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)