BDBM92501 Retrothiorphan

SMILES c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O

InChI Key InChIKey=REPVVNYZORKKPQ-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 92501   

TargetThermolysin(Bacillus thermoproteolyticus)
University of Marburg

Curated by ChEMBL

LigandBDBM92501(Retrothiorphan)Copy SMILESCopy InChI

Affinity DataKi:  2.29E+3nMAssay Description:pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoKEGGPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/22/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetEEF1AKMT4-ECE2 readthrough transcript protein(Human)
Pharmaleads

LigandBDBM92501(Retrothiorphan)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nM IC50: 1.00E+4nMAssay Description:Inhibitory assay against ECE-2.More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoKEGGPC cidPC sidPDBSimilars

In Depth
Date in BDB:
10/17/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL