BDBM50324257 (Z)-3-(2-{[5-(Ethylsulfonyl)-2-oxoindolin-3-ylidene]methyl}-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic Acid::CHEMBL1214928

SMILES: CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1

InChI Key: InChIKey=FVSPJSBCNGWVQQ-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 = 50324257   

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))	BDBM50324257 ((Z)-3-(2-{[5-(Ethylsulfonyl)-2-oxoindolin-3-yliden...) Show SMILES CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13| Show InChI InChI=1S/C22H22N2O6S/c1-2-31(29,30)12-6-8-16-14(10-12)15(22(28)24-16)11-18-13(7-9-20(26)27)21-17(23-18)4-3-5-19(21)25/h6,8,10-11,23H,2-5,7,9H2,1H3,(H,24,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair