BDBM50137079 (S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-ethyl)-8-carboxymethyl-5-hydroxymethyl-7,13,24-tri(R)-oxo-4,10-di(S)-oxo-16-oxo-docosahydro-19,20-dithia-3a,6,9,12,15,23-hexaaza-cyclopentacyclotricosene-22-carboxylic acid::CHEMBL154655

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O

InChI Key InChIKey=MRWDGHWMQBMXSG-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 = 50137079   

TargetIntegrin beta-1(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50137079((S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-et...)
Affinity DataIC50: 1.44E+6nMAssay Description:Inhibition of alpha4-beta1 interaction to vascular cell adhesion molecule-1 (VCAM-1) was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed