BDBM50547625 CHEMBL4751079

SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)c1ccc3c(c1)C(=O)OC31c3ccc4cc(O)ccc4c3Oc3c1ccc1cc(O)ccc31)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C

InChI Key InChIKey=WRXQIVSHTGOIJJ-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50547625   

TargetGrowth factor receptor-bound protein 2(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50547625(CHEMBL4751079)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to Grb2-SH2 domain (unknown origin) expressed in Escherichia coli BL21 (DE23) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed