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SMILES: CCOc1cc(ccc1Nc1ncc2N(CC)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1

InChI Key: InChIKey=ACHCMXBSPWFSTG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 209403   
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))		BDBM209403
PNG
(US9266890, I-13)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(CC)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C27H38N6O3/c1-3-32-23-18-28-27(30-26(23)33(16-13-25(32)35)19-7-5-6-8-19)29-22-10-9-20(17-24(22)36-4-2)31-14-11-21(34)12-15-31/h9-10,17-19,21,34H,3-8,11-16H2,1-2H3,(H,28,29,30)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.01E+3n/an/an/an/an/a25



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...

US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair