BDBM50324260 (Z)-3-(2-{[5-(4-Fluorobenzylsulfonyl)-2-oxoindolin-3-ylidene]-methyl}-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic Acid::CHEMBL1214996

SMILES: OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12

InChI Key: InChIKey=FXODUVDBZVMYDK-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 = 50324260   

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))	BDBM50324260 ((Z)-3-(2-{[5-(4-Fluorobenzylsulfonyl)-2-oxoindolin...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C27H23FN2O6S/c28-16-6-4-15(5-7-16)14-37(35,36)17-8-10-21-19(12-17)20(27(34)30-21)13-23-18(9-11-25(32)33)26-22(29-23)2-1-3-24(26)31/h4-8,10,12-13,29H,1-3,9,11,14H2,(H,30,34)(H,32,33)	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	443	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
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