BDBM50324250 (Z)-3-{4-Acetyl-2-[(5-fluoro-2-oxoindolin-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl}propanoic Acid::CHEMBL1214853

SMILES: CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O

InChI Key: InChIKey=DPEBDBCXOSMPLP-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 = 50324250   

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))	BDBM50324250 ((Z)-3-{4-Acetyl-2-[(5-fluoro-2-oxoindolin-3-yliden...) Show SMILES CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O |w:8.7| Show InChI InChI=1S/C19H17FN2O4/c1-9-18(10(2)23)12(4-6-17(24)25)16(21-9)8-14-13-7-11(20)3-5-15(13)22-19(14)26/h3,5,7-8,21H,4,6H2,1-2H3,(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	362	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