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SMILES: COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)(C)C)c2n1)N1CCN(C)CC1

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 = 50569977   
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))		BDBM50569977
PNG
(CHEMBL4846040)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(18.61,-17.97,;19.95,-17.23,;19.98,-15.69,;18.66,-14.89,;18.68,-13.35,;20.03,-12.61,;21.35,-13.4,;21.33,-14.94,;22.64,-15.73,;23.99,-14.99,;24.02,-13.45,;25.36,-12.69,;26.69,-13.49,;28.03,-12.74,;28.06,-11.2,;29.35,-13.53,;29.33,-15.07,;30.65,-15.86,;27.98,-15.82,;27.95,-17.36,;26.61,-18.11,;26.59,-19.65,;27.9,-20.44,;29.25,-19.69,;29.27,-18.15,;27.88,-21.98,;29.2,-22.77,;29.17,-24.31,;30.54,-22.02,;29.76,-20.68,;31.31,-20.68,;31.87,-22.81,;26.66,-15.03,;25.32,-15.77,;17.36,-12.56,;16.01,-13.31,;14.7,-12.52,;14.72,-10.98,;13.4,-10.19,;16.07,-10.23,;17.39,-11.02,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.200n/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