BDBM209946 US9249124, 34

SMILES: OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1O

InChI Key: InChIKey=NJMJSHFPMPOALJ-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 = 209946   

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))	BDBM209946 (US9249124, 34) Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1O Show InChI InChI=1S/C17H13ClN4O3/c18-12-3-1-2-4-13(12)21-15-7-8-19-17(22-15)20-10-5-6-11(16(24)25)14(23)9-10/h1-9,23H,(H,24,25)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	25
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...				US Patent US9249124 (2016) BindingDB Entry DOI: 10.7270/Q2J1020R
					More data for this Ligand-Target Pair