BDBM228800 NOEV::Sapienic acid (SpA)

SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=UPZUHYMBTUUPML-XGUBFFRZSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 228800   

TargetFatty acid-binding protein 5 [M35A,L60A](Homo sapiens (Human))
Emory University

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  700nM ΔG°:  -8.53kcal/molepH: 8.2 T: 2°CAssay Description:In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-galactosidase [24-677,R201C](Homo sapiens (Human))
The University of Tokyo

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  940nM ΔG°:  -8.55kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-galactosidase [24-677](Homo sapiens (Human))
The University of Tokyo

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  1.10E+3nM ΔG°:  -8.45kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5(Homo sapiens (Human))
Emory University

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  1.10E+3nM ΔG°:  -8.26kcal/molepH: 8.2 T: 2°CAssay Description:In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-galactosidase [24-677,I51T](Homo sapiens (Human))
The University of Tokyo

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  1.20E+3nM ΔG°:  -8.40kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5 [K24A,R33A,K34A](Homo sapiens (Human))
Emory University

LigandPNGBDBM228800(NOEV | Sapienic acid (SpA))
Affinity DataKi:  1.24E+3nM ΔG°:  -8.19kcal/molepH: 8.2 T: 2°CAssay Description:In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed