Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM116672'   

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))	BDBM116672 (US8637532, 374) Show SMILES COc1ccc(cc1F)C(=O)Nc1cc(ccc1F)[C@@H](C)Nc1nccc2c(cccc12)C(N)=O |r| Show InChI InChI=1S/C26H22F2N4O3/c1-14(31-25-19-5-3-4-18(24(29)33)17(19)10-11-30-25)15-6-8-20(27)22(13-15)32-26(34)16-7-9-23(35-2)21(28)12-16/h3-14H,1-2H3,(H2,29,33)(H,30,31)(H,32,34)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...				US Patent US8637532 (2014) BindingDB Entry DOI: 10.7270/Q21G0JZX
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