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SMILES: CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)ncc2c(C)cc1=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50569972   
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))		BDBM50569972
PNG
(CHEMBL4853778)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(29.71,-18.42,;29.7,-19.96,;28.37,-20.73,;28.37,-22.27,;27.04,-19.96,;27.04,-18.42,;25.71,-17.65,;25.71,-16.11,;27.04,-15.34,;28.38,-16.11,;28.37,-17.65,;27.05,-13.8,;25.71,-13.03,;24.38,-13.79,;23.05,-13.02,;21.71,-13.79,;20.38,-13.01,;20.38,-11.47,;19.05,-10.71,;17.71,-11.47,;16.38,-10.7,;15.05,-11.47,;13.71,-10.69,;13.72,-9.15,;12.38,-8.38,;15.05,-8.39,;16.38,-9.16,;17.71,-13.01,;16.38,-13.78,;15.05,-13.01,;19.04,-13.79,;23.05,-11.48,;24.38,-10.71,;25.72,-11.49,;27.05,-10.72,;27.06,-9.18,;28.38,-11.49,;28.38,-13.03,;29.71,-13.8,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.20n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair