BDBM50324254 (Z)-3-(2-{[5-(3,4-Dimethoxyphenyl)-2-oxoindolin-3-ylidene]-methyl}-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic Acid::CHEMBL1214925

SMILES: COc1ccc(cc1OC)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1

InChI Key: InChIKey=VNTHEFOEKZRFJX-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 = 50324254   

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))	BDBM50324254 ((Z)-3-(2-{[5-(3,4-Dimethoxyphenyl)-2-oxoindolin-3-...) Show SMILES COc1ccc(cc1OC)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:18.19| Show InChI InChI=1S/C28H26N2O6/c1-35-24-10-7-16(13-25(24)36-2)15-6-9-20-18(12-15)19(28(34)30-20)14-22-17(8-11-26(32)33)27-21(29-22)4-3-5-23(27)31/h6-7,9-10,12-14,29H,3-5,8,11H2,1-2H3,(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	560	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