BDBM50389264 CHEMBL2063454

SMILES: Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12

InChI Key: InChIKey=RGPWYKMLXGHNCZ-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 = 50389264   

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))	BDBM50389264 (CHEMBL2063454) Show SMILES Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12 Show InChI InChI=1S/C22H17F2N5O2S/c23-16-8-7-14(10-17(16)24)28-22(31)26-11-12-3-1-4-13(9-12)27-21(30)15-5-2-6-18-19(15)20(25)29-32-18/h1-10H,11H2,(H2,25,29)(H,27,30)(H2,26,28,31)	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))	BDBM50389264 (CHEMBL2063454) Show SMILES Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12 Show InChI InChI=1S/C22H17F2N5O2S/c23-16-8-7-14(10-17(16)24)28-22(31)26-11-12-3-1-4-13(9-12)27-21(30)15-5-2-6-18-19(15)20(25)29-32-18/h1-10H,11H2,(H2,25,29)(H,27,30)(H2,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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