null

SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1

InChI Key InChIKey=OIFZQGNZNOLKTL-ZPCRYNMYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 222046   

TargetCarbonic anhydrase 2(Homo sapiens (Human))TBA
LigandPNGBDBM222046((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)copy SMILEScopy InChI
Affinity DataKi:  0.245nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N852GPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))TBA
LigandPNGBDBM222046((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)copy SMILEScopy InChI
Affinity DataKi:  0.277nM ΔG°:  -13.0kcal/mole IC50: 0.356nMpH: 7.4 T: 2°CAssay Description:Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9NZBPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))TBA
LigandPNGBDBM222046((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)copy SMILEScopy InChI
Affinity DataKi:  0.405nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N852GPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))TBA
LigandPNGBDBM222046((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)copy SMILEScopy InChI
Affinity DataKi:  0.513nM ΔG°:  -12.7kcal/mole IC50: 0.639nMpH: 7.4 T: 2°CAssay Description:Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9NZBPubMed