BDBM50206419 CHEMBL3901797

SMILES: OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12

InChI Key: InChIKey=XFYZEMMAKSZBNW-QXMHVHEDSA-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 = 50206419   

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))	BDBM50206419 (CHEMBL3901797) Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12 Show InChI InChI=1S/C24H19N5O4/c30-21(11-12-22(31)32)25-17-8-4-5-15(13-17)23-19-14-18(9-10-20(19)28-29-23)27-24(33)26-16-6-2-1-3-7-16/h1-14H,(H,25,30)(H,28,29)(H,31,32)(H2,26,27,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
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