BDBM50612865 CHEMBL5276737

SMILES CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OCCSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O)cc2)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O

InChI Key InChIKey=XVWGRRGMXRUJIZ-UHFFFAOYSA-N

Data  1 Kd

  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 1 hit for monomerid = 50612865   

TargetSonic hedgehog protein(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50612865(CHEMBL5276737)
Affinity DataKd:  170nMAssay Description:Binding affinity to Shh (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed