BDBM36500 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1::CID205058

SMILES OC(=O)Cc1csc2ccc(Cl)cc12

InChI Key InChIKey=QQKKTOPRRGBBCT-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 Kd

PDB links: 3 PDB IDs match this monomer.

  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 4 hits for monomerid = 36500   

TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM36500(2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...)
Affinity DataKi:  3.40E+6nMAssay Description:Inhibition of recombinant human His-tagged Keap1 kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3) cells to Cy5-Nrf2 (unknow...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM36500(2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...)
Affinity DataKd:  8.40E+5nMAssay Description:Binding affinity to Keap1 kelch domain (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

LigandPNGBDBM36500(2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...)
Affinity DataIC50: >5.00E+5nMpH: 7.4 T: 2°CAssay Description:A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.More data for this Ligand-Target Pair
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

LigandPNGBDBM36500(2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...)
Affinity DataIC50: >5.00E+8nMAssay Description:Inhibition of FPPS (unknown origin)More data for this Ligand-Target Pair