Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM35661'
TargetAurora kinase A(Homo sapiens (Human))
Vertex Pharmaceuticals Inc

LigandPNGBDBM35661(erk000595 | pyrimidylpyrrole, 11i)
Show SMILES Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C28H28ClN5O2/c1-17-14-31-28(33-23-11-5-7-18-6-2-3-10-22(18)23)34-26(17)20-13-24(30-15-20)27(36)32-25(16-35)19-8-4-9-21(29)12-19/h4-5,7-9,11-15,25,30,35H,2-3,6,10,16H2,1H3,(H,32,36)(H,31,33,34)/t25-/m1/s1
Affinity DataKi:  280nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair