Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50295902'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50295902 (3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4| Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A expressed in Escherichia coli				Bioorg Med Chem 17: 4302-12 (2009) Article DOI: 10.1016/j.bmc.2009.05.031 BindingDB Entry DOI: 10.7270/Q2XP750M
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