BindingDB logo
myBDB logout

null

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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50569970   
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))		BDBM50569970
PNG
(CHEMBL4850608)
Show SMILES CCC(=O)N[C@H]1CC[C@@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:5.4,wD:8.11,(29.6,-20.19,;29.58,-21.73,;28.24,-22.49,;28.23,-24.03,;26.92,-21.71,;26.93,-20.17,;25.6,-19.39,;25.62,-17.85,;26.96,-17.09,;28.28,-17.87,;28.27,-19.41,;26.97,-15.55,;25.64,-14.77,;24.3,-15.52,;22.97,-14.74,;21.63,-15.5,;20.3,-14.72,;20.32,-13.18,;18.99,-12.39,;17.65,-13.15,;17.64,-14.69,;18.96,-15.48,;18.95,-17.02,;17.61,-17.77,;16.33,-12.37,;14.98,-13.13,;13.66,-12.35,;13.67,-10.81,;12.35,-10.02,;15.01,-10.05,;16.34,-10.83,;22.99,-13.2,;24.33,-12.44,;25.66,-13.22,;27,-12.46,;27.01,-10.92,;28.32,-13.25,;28.31,-14.79,;29.64,-15.57,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.80n/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