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SMILES: CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1cccc(O)c1

InChI Key: InChIKey=YBTBSJJURDABOD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194294   
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))		BDBM194294
PNG
(US9199999, 32)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C28H27N5O2/c1-18(2)15-29-26-27-30-16-25(20-7-9-21(10-8-20)28(35)32-22-12-13-22)33(27)17-23(31-26)11-6-19-4-3-5-24(34)14-19/h3-5,7-10,14,16-18,22,34H,12-13,15H2,1-2H3,(H,29,31)(H,32,35)
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Similars
US Patent
n/an/a 6.70n/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