BDBM50389248 CHEMBL2063438

SMILES: Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12

InChI Key: InChIKey=OTHGCBQMJAZUIO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389248   

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))	BDBM50389248 (CHEMBL2063438) Show SMILES Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12 Show InChI InChI=1S/C21H16FN5O3/c22-12-4-6-14(7-5-12)25-21(29)26-15-10-8-13(9-11-15)24-20(28)16-2-1-3-17-18(16)19(23)27-30-17/h1-11H,(H2,23,27)(H,24,28)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50389248 (CHEMBL2063438) Show SMILES Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12 Show InChI InChI=1S/C21H16FN5O3/c22-12-4-6-14(7-5-12)25-21(29)26-15-10-8-13(9-11-15)24-20(28)16-2-1-3-17-18(16)19(23)27-30-17/h1-11H,(H2,23,27)(H,24,28)(H2,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair