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BDBM31840 2,4-Bisanilinopyrimidine, 47

SMILES: Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1

InChI Key: InChIKey=LWSHZEDFESCDDR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 31840   
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))		BDBM31840
PNG
(2,4-Bisanilinopyrimidine, 47)
Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1
Show InChI InChI=1S/C23H18FN5O3/c24-20-13-25-23(28-16-8-10-18(30)11-9-16)29-21(20)26-15-6-4-14(5-7-15)22(32)27-17-2-1-3-19(31)12-17/h1-13,30-31H,(H,27,32)(H2,25,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19n/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