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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 = 'BDBM50503748'   
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))		BDBM50503748
PNG
(CHEMBL4440617)
Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3cccc(-[#8])c3)n2)-[#7+](-[#8-])=O)cc1 |^1:10|
Show InChI InChI=1S/C26H30N7O5/c1-25(2)13-19(14-26(3,4)33(25)38)29-23(35)16-8-10-17(11-9-16)30-24-27-15-21(32(36)37)22(31-24)28-18-6-5-7-20(34)12-18/h5-12,15,19,34H,13-14H2,1-4H3,(H,29,35)(H2,27,28,30,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method

Bioorg Med Chem 27: 65-78 (2019)


Article DOI: 10.1016/j.bmc.2018.11.006
BindingDB Entry DOI: 10.7270/Q2PN98WR
More data for this
Ligand-Target Pair