BindingDB logo
myBDB logout

null

SMILES: Fc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12

InChI Key: InChIKey=NOPCZMDLBKYCCI-UHFFFAOYSA-N

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 = 50183034   
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))		BDBM50183034
PNG
(CHEMBL3819164)
Show SMILES Fc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C26H32FN7O2/c27-22-13-17(5-8-20(22)24(35)30-19-6-7-19)21-15-29-34-23(21)32-25(31-18-3-1-2-4-18)33-26(34)28-14-16-9-11-36-12-10-16/h5,8,13,15-16,18-19H,1-4,6-7,9-12,14H2,(H,30,35)(H2,28,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair