BDBM50324283 (Z)-3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl}propanoic Acid::CHEMBL1214782

SMILES: OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12

InChI Key: InChIKey=MMGOTJIEBBQFCL-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324283   

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))	BDBM50324283 ((Z)-3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)methyl]-4,...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C20H18N2O4/c23-17-7-3-6-15-19(17)12(8-9-18(24)25)16(21-15)10-13-11-4-1-2-5-14(11)22-20(13)26/h1-2,4-5,10,21H,3,6-9H2,(H,22,26)(H,24,25)	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	208	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