BDBM12654 (1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate::3-{[trans-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex-1-en-1-yl]methoxy}benzamide::ABT-341 analogue 17

SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1

InChI Key InChIKey=VHPRYHGBNIULGG-KUHUBIRLSA-O

Data  3 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 3 hits for monomerid = 12654   

TargetDipeptidyl peptidase 4(Human)
Abbott Laboratories

LigandPNGBDBM12654((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Affinity DataKi:  3.60nM ΔG°:  -11.4kcal/molepH: 7.5 T: 22°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 9(Human)
Abbott Laboratories

LigandPNGBDBM12654((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Affinity DataKi:  430nM ΔG°:  -8.59kcal/molepH: 7.5 T: 22°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 8(Human)
Abbott Laboratories

LigandPNGBDBM12654((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Affinity DataKi:  560nM ΔG°:  -8.44kcal/molepH: 7.5 T: 22°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed