BDBM50206406 CHEMBL3975342

SMILES: OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12

InChI Key: InChIKey=KECHWBXSWDUXLA-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 = 50206406   

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))	BDBM50206406 (CHEMBL3975342) Show SMILES OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 Show InChI InChI=1S/C23H20N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,27H,11-12H2,(H,24,28)(H,25,26)(H,29,30)	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	74	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50206406 (CHEMBL3975342) Show SMILES OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 Show InChI InChI=1S/C23H20N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,27H,11-12H2,(H,24,28)(H,25,26)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair