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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50363997   
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))		BDBM50363997
PNG
(CHEMBL1950042)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C36H55N13O10S2/c1-18(2)29-36(59)49-10-4-6-25(49)34(57)46-23(31(54)41-13-27(39)51)16-61-60-15-20(37)30(53)42-14-28(52)44-22(11-19-12-40-17-43-19)35(58)48-9-3-5-24(48)33(56)45-21(32(55)47-29)7-8-26(38)50/h12,17-18,20-25,29H,3-11,13-16,37H2,1-2H3,(H2,38,50)(H2,39,51)(H,40,43)(H,41,54)(H,42,53)(H,44,52)(H,45,56)(H,46,57)(H,47,55)/t20-,21-,22-,23-,24-,25-,29-/m0/s1
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Article
PubMed
n/an/a 2.34E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6743-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG
More data for this
Ligand-Target Pair