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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50386844   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50386844
PNG
(CHEMBL2047972)
Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C29H40N8O3/c1-39-24-18-22(36-11-9-20(10-12-36)17-25(38)37-13-15-40-16-14-37)7-8-23(24)33-29-34-27-26(30-19-31-27)28(35-29)32-21-5-3-2-4-6-21/h7-8,18-21H,2-6,9-17H2,1H3,(H3,30,31,32,33,34,35)
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1

Bioorg Med Chem Lett 22: 4377-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9
More data for this
Ligand-Target Pair