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SMILES: COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)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 = 50569976   
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))		BDBM50569976
PNG
(CHEMBL4867504)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.49,-16.86,;18.83,-16.09,;18.83,-14.55,;17.5,-13.78,;17.5,-12.24,;18.84,-11.47,;20.17,-12.25,;20.17,-13.79,;21.5,-14.55,;22.83,-13.79,;22.84,-12.25,;24.18,-11.49,;25.5,-12.26,;26.84,-11.49,;26.85,-9.95,;28.17,-12.27,;28.17,-13.81,;29.5,-14.58,;26.83,-14.57,;26.83,-16.11,;25.49,-16.88,;25.48,-18.42,;26.82,-19.19,;28.16,-18.43,;28.16,-16.89,;26.82,-20.73,;28.14,-21.51,;28.14,-23.05,;29.48,-20.74,;29.49,-19.2,;30.81,-21.52,;25.5,-13.8,;24.16,-14.57,;16.17,-11.46,;14.84,-12.23,;13.5,-11.46,;13.51,-9.92,;12.18,-9.14,;14.84,-9.15,;16.17,-9.92,)|
PDB
MMDB

KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.5n/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