BDBM12653 (1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate::ABT-341 analogue 19

SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1

InChI Key InChIKey=VDIQELAZMIFVDS-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 = 12653   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM12653((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Affinity DataKi:  6nM ΔG°:  -11.1kcal/molepH: 7.5 T: 2°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
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM12653((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Affinity DataKi:  230nM ΔG°:  -8.96kcal/molepH: 7.5 T: 2°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
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 9(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM12653((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Affinity DataKi:  500nM ΔG°:  -8.50kcal/molepH: 7.5 T: 2°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
In DepthDetails ArticlePubMed