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SMILES: CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1(O)CCCC1

InChI Key: InChIKey=PMWKCIGJSKSVMC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194277   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM194277
PNG
(US9199999, 15)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1(O)CCCC1
Show InChI InChI=1S/C27H31N5O2/c1-18(2)15-28-24-25-29-16-23(19-5-7-20(8-6-19)26(33)31-21-9-10-21)32(25)17-22(30-24)11-14-27(34)12-3-4-13-27/h5-8,16-18,21,34H,3-4,9-10,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
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Similars
US Patent
n/an/a 4.10n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...

US Patent US9199999 (2015)


BindingDB Entry DOI: 10.7270/Q2348J68
More data for this
Ligand-Target Pair