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SMILES: CCCCC[C@@H](O)C#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=QHVPTEROMDCLGB-XMMPIXPASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194298   
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))		BDBM194298
PNG
(US9199999, 36)
Show SMILES CCCCC[C@@H](O)C#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C28H35N5O2/c1-4-5-6-7-24(34)15-14-23-18-33-25(17-30-27(33)26(31-23)29-16-19(2)3)20-8-10-21(11-9-20)28(35)32-22-12-13-22/h8-11,17-19,22,24,34H,4-7,12-13,16H2,1-3H3,(H,29,31)(H,32,35)/t24-/m1/s1
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Similars
US Patent
n/an/a 3.90n/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