BDBM50175496 CHEMBL3808569

SMILES: Clc1ccc(NC(=O)Nc2ccc(COc3ccc4nc(NCCN5CCOCC5)oc4c3)cc2)cc1

InChI Key: InChIKey=GZADLZDJISKUTO-UHFFFAOYSA-N

Data: 1 IC50

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 = 50175496   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50175496 (CHEMBL3808569) Show SMILES Clc1ccc(NC(=O)Nc2ccc(COc3ccc4nc(NCCN5CCOCC5)oc4c3)cc2)cc1 Show InChI InChI=1S/C27H28ClN5O4/c28-20-3-7-22(8-4-20)31-26(34)30-21-5-1-19(2-6-21)18-36-23-9-10-24-25(17-23)37-27(32-24)29-11-12-33-13-15-35-16-14-33/h1-10,17H,11-16,18H2,(H,29,32)(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay				Bioorg Med Chem Lett 26: 3067-72 (2016) BindingDB Entry DOI: 10.7270/Q20K2BGN
					More data for this Ligand-Target Pair