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SMILES: CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)-c1ccccc1

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 = 50569987   
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))		BDBM50569987
PNG
(CHEMBL4862196)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)-c1ccccc1 |r,wU:8.11,5.4,(32.37,-23.07,;32.39,-24.61,;31.07,-25.4,;31.09,-26.94,;29.72,-24.64,;29.7,-23.1,;28.36,-22.35,;28.34,-20.81,;29.67,-20.02,;31.01,-20.78,;31.03,-22.32,;29.65,-18.48,;28.31,-17.73,;26.98,-18.51,;25.63,-17.76,;24.31,-18.54,;22.97,-17.78,;22.95,-16.24,;21.61,-15.49,;20.28,-16.28,;20.3,-17.82,;21.65,-18.57,;21.67,-20.11,;20.34,-20.9,;18.94,-15.52,;17.61,-16.31,;16.27,-15.55,;16.25,-14.01,;14.91,-13.26,;17.58,-13.23,;18.92,-13.98,;25.61,-16.21,;26.94,-15.43,;28.29,-16.19,;29.61,-15.4,;30.95,-16.15,;30.97,-17.69,;32.32,-18.45,;29.59,-13.86,;28.25,-13.11,;28.24,-11.57,;29.56,-10.78,;30.9,-11.53,;30.92,-13.07,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 825n/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