Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM92840'   

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 B (Homo sapiens (Human))	BDBM92840 (Bisanilinopyrimidine, 9l | US9249124, 56) Show SMILES OCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C19H18ClN5O2/c20-15-3-1-2-4-16(15)24-17-9-10-22-19(25-17)23-14-7-5-13(6-8-14)18(27)21-11-12-26/h1-10,26H,11-12H2,(H,21,27)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description In vitro enzyme activity assay using Aurora Kinase A.				J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH
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