BDBM34010 benzothiophene carboxamide, 18b

SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1

InChI Key InChIKey=SXNKHSLGMRZBAC-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 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 4 hits for monomerid = 34010   

TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Horizon Discovery

Curated by ChEMBL
LigandPNGBDBM34010(benzothiophene carboxamide, 18b)
Affinity DataIC50: 180nMAssay Description:Inhibition of Pin1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Horizon Discovery

Curated by ChEMBL
LigandPNGBDBM34010(benzothiophene carboxamide, 18b)
Affinity DataIC50: 300nMAssay Description:Displacement of FITC-WFYpSPFLE from human Pin1 (45-163) catalytic domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Horizon Discovery

Curated by ChEMBL
LigandPNGBDBM34010(benzothiophene carboxamide, 18b)
Affinity DataKd:  72nMAssay Description:Binding affinity to full length Pin 1 (unknown origin) by isothermal titration calorimetry methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1(Human)
Horizon Discovery

Curated by ChEMBL
LigandPNGBDBM34010(benzothiophene carboxamide, 18b)
Affinity DataKi:  179nM ΔG°:  -8.89kcal/molepH: 7.5 T: 2°CAssay Description:The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2009
Entry Details Article
PubMed