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SMILES: CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccccn1

InChI Key: InChIKey=KMOSUOINFHEGLX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194290   
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))		BDBM194290
PNG
(US9199999, 28)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccccn1
Show InChI InChI=1S/C27H26N6O/c1-18(2)15-29-25-26-30-16-24(19-6-8-20(9-7-19)27(34)32-22-11-12-22)33(26)17-23(31-25)13-10-21-5-3-4-14-28-21/h3-9,14,16-18,22H,11-12,15H2,1-2H3,(H,29,31)(H,32,34)
PDB
MMDB

KEGG

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Similars
US Patent
n/an/a 6.10n/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