BDBM41732 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid::1-benzyl-2,5-dimethylpyrrole-3-carboxylic acid::2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid::2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid::SR-01000106152-2::cid_935740

SMILES Cc1cc(C(O)=O)c(C)n1Cc1ccccc1

InChI Key InChIKey=YBCBUHIBNNSACV-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 2 hits for monomerid = 41732   

TargetDisulfide bond formation protein B(Escherichia coli (strain K12))
Leiden University

LigandChemical structure of BindingDB Monomer ID 41732BDBM41732(cid_935740 | 2,5-dimethyl-1-(phenylmethyl)-3-pyrro...)
Affinity DataIC50: 1.30E+4nMpH: 6.2 T: 2°CAssay Description:13 fragments with strong inhibition in the single concentration point assay were chose from the micelle screen for further analysis using a biochemic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2011
Entry Details Article
PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 41732BDBM41732(cid_935740 | 2,5-dimethyl-1-(phenylmethyl)-3-pyrro...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed