BDBM222057 (3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7l)

SMILES O=C(\C=C\c1ccco1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O

InChI Key InChIKey=CDKJSYMMXXELTE-XMLDZNDQSA-N

Data  4 KI  2 IC50

  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 4 hits for monomerid = 222057   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222057((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)
Affinity DataKi:  0.245nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222057((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)
Affinity DataKi:  0.390nM ΔG°:  -12.8kcal/mole IC50:  0.555nMpH: 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 ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222057((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)
Affinity DataKi:  0.405nMAssay Description:Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222057((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)
Affinity DataKi:  0.595nM ΔG°:  -12.6kcal/mole IC50:  0.655nMpH: 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 ArticlePubMed