BDBM109208 2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-{[4- (3-chloro-2-fluorophenoxy)-1-{[6-(1,3-thiazol-2- ylamino)pyridin-2- yl]methyl}cyclohexyl]formamido}pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound III)::Compound III: VX-689*-D-Lys(PromoFluor 647)-NH2

SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CCC(CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O

InChI Key InChIKey=PDWIGYNVGGQZCA-ZLULYYKSSA-N

Data  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 109208   

TargetAurora kinase A/Targeting protein for Xklp2 [1-43](Homo sapiens (Human))
University Of Tartu

LigandPNGBDBM109208(2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-{[4- ...)
Affinity DataKd:  0.544nMT: 2°CAssay Description:A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAurora kinase A(Homo sapiens (Human))
University Of Tartu

LigandPNGBDBM109208(2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-{[4- ...)
Affinity DataKd:  0.200nMT: 2°CAssay Description:A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed