BDBM50053299 CHEMBL3323024

SMILES: COC(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=BOYNTOSXCWENKC-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 = 50053299   

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 A (Homo sapiens (Human))	BDBM50053299 (CHEMBL3323024) Show SMILES COC(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H17F3N4O4/c1-35-23(34)15-7-5-14(6-8-15)20-13-31(30-29-20)18-9-10-21(32)19(12-18)22(33)28-17-4-2-3-16(11-17)24(25,26)27/h2-13,32H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs				Bioorg Med Chem 22: 4855-66 (2014) Article DOI: 10.1016/j.bmc.2014.06.047 BindingDB Entry DOI: 10.7270/Q2PV6N11
					More data for this Ligand-Target Pair