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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50455354'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))		BDBM50455354
PNG
(CHEMBL4208852)
Show SMILES CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N8/c1-23-22-25-14-18-20(27-30(21(18)26-22)15-16-5-3-4-6-16)17-7-8-19(24-13-17)29-11-9-28(2)10-12-29/h7-8,13-14,16H,3-6,9-12,15H2,1-2H3,(H,23,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human partial length Aurora A (E122 to K401 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate i...

J Med Chem 61: 2104-2110 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01605
BindingDB Entry DOI: 10.7270/Q2D50QKC
More data for this
Ligand-Target Pair