BDBM21733 (S)-ibuprofenoyl-CoA, 20

SMILES CCC(C)c1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChI Key InChIKey=HIIMRNIPOZSWLF-DXIOBALPSA-N

Data  1 KI

  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 1 hit for monomerid = 21733   

TargetAlpha-methylacyl-CoA racemase(Rat)
University of Liverpool

LigandPNGBDBM21733((S)-ibuprofenoyl-CoA, 20)
Affinity DataKi:  1.92E+4nM ΔG°:  -6.69kcal/molepH: 7.0 T: 37°CAssay Description:AMACR activity was determined by monitoring the interconversion of the (25R/S)-isomer of THC-CoA. Reaction product was analyzed by resolution of (25S...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed