BDBM50052074 CHEMBL3322594

SMILES: CN1CCN(CC1)C(=O)Cc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c1C

InChI Key: InChIKey=HEQLUSURCKICSE-YSMPRRRNSA-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 = 50052074   

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))	BDBM50052074 (CHEMBL3322594) Show SMILES CN1CCN(CC1)C(=O)Cc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c1C Show InChI InChI=1S/C34H33FN6O4/c1-19-25(16-31(42)41-12-10-40(3)11-13-41)20(2)37-29(19)15-26-24-9-8-23(14-30(24)39-33(26)44)38-34(45)28-18-36-17-27(32(28)43)21-4-6-22(35)7-5-21/h4-9,14-15,17-18,37H,10-13,16H2,1-3H3,(H,36,43)(H,38,45)(H,39,44)/b26-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay				Eur J Med Chem 84: 312-34 (2014) Article DOI: 10.1016/j.ejmech.2014.07.033 BindingDB Entry DOI: 10.7270/Q2RV0QB7
					More data for this Ligand-Target Pair