BDBM50523101 CHEMBL4545330

SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C#N

InChI Key InChIKey=IZCIYUNGVIXYJY-UHFFFAOYSA-N

Data  2 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50523101   

TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50523101(CHEMBL4545330)
Affinity DataIC50: 850nMAssay Description:Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in enzyme-mediated bov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50523101(CHEMBL4545330)
Affinity DataKd:  9.10E+3nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50523101(CHEMBL4545330)
Affinity DataKd:  9.80E+3nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by ROX dye based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50523101(CHEMBL4545330)
Affinity DataKd:  1.23E+4nMAssay Description:Binding affinity to recombinant full-length human His-tagged PDI expressed in Escherichia coli Origami B (DE3) by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetProtein disulfide-isomerase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50523101(CHEMBL4545330)
Affinity DataIC50: 930nMAssay Description:Non-covalent inhibition of PDI (unknown origin) by insulin aggregation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed