BDBM50183026 CHEMBL3818733

SMILES: Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCOCC3)nc12

InChI Key: InChIKey=FJHWXDPTOXZTJA-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 = 50183026   

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))	BDBM50183026 (CHEMBL3818733) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCOCC3)nc12 Show InChI InChI=1S/C27H35N7O3/c1-17-14-19(2-5-22(17)25(35)30-20-3-4-20)23-16-29-34-24(23)32-26(31-21-8-12-37-13-9-21)33-27(34)28-15-18-6-10-36-11-7-18/h2,5,14,16,18,20-21H,3-4,6-13,15H2,1H3,(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	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of TTK (unknown origin)				Bioorg Med Chem Lett 26: 3562-6 (2016) BindingDB Entry DOI: 10.7270/Q28G8NNB
					More data for this Ligand-Target Pair