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SMILES: COc1cc(ccc1-c1cnc2c(NCCCN)nc(cn12)C#CCO)C(=O)NC1CC1

InChI Key: InChIKey=VSBWTEAIJSJNCM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194273   
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))		BDBM194273
PNG
(US9199999, 11)
Show SMILES COc1cc(ccc1-c1cnc2c(NCCCN)nc(cn12)C#CCO)C(=O)NC1CC1
Show InChI InChI=1S/C23H26N6O3/c1-32-20-12-15(23(31)28-16-6-7-16)5-8-18(20)19-13-26-22-21(25-10-3-9-24)27-17(4-2-11-30)14-29(19)22/h5,8,12-14,16,30H,3,6-7,9-11,24H2,1H3,(H,25,27)(H,28,31)
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MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 993n/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