BDBM50183024 CHEMBL3819182

SMILES: Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12

InChI Key: InChIKey=YASSOMRGUUCVBI-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50183024   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50183024 (CHEMBL3819182) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12 Show InChI InChI=1S/C28H36N6O2/c1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)25-17-30-27-24(29-16-19-10-12-36-13-11-19)15-26(33-34(25)27)31-21-4-2-3-5-21/h6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...				Bioorg Med Chem Lett 26: 3562-6 (2016) BindingDB Entry DOI: 10.7270/Q28G8NNB
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