BDBM50389270 CHEMBL2063450

SMILES: Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12

InChI Key: InChIKey=OMJMLYDFJTVVNK-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 = 50389270   

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))	BDBM50389270 (CHEMBL2063450) Show SMILES Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12 Show InChI InChI=1S/C21H18N4O4S/c22-20-19-17(10-5-11-18(19)29-25-20)21(26)24-15-7-4-6-14(12-15)13-23-30(27,28)16-8-2-1-3-9-16/h1-12,23H,13H2,(H2,22,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50389270 (CHEMBL2063450) Show SMILES Nc1noc2cccc(C(=O)Nc3cccc(CNS(=O)(=O)c4ccccc4)c3)c12 Show InChI InChI=1S/C21H18N4O4S/c22-20-19-17(10-5-11-18(19)29-25-20)21(26)24-15-7-4-6-14(12-15)13-23-30(27,28)16-8-2-1-3-9-16/h1-12,23H,13H2,(H2,22,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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