BDBM50281339 (S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-ethyl)-4-hydroxymethyl-3,6,10-trioxo-[1,2,5]triazecan-2-yl]-3-phenyl-propionylamino}-4-methyl-pentanoic acid [1-((S)-(R)-1-benzylcarbamoyl)-2-hydroxy-propyl]-amide::CHEMBL329691

SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1NC(=O)[C@@H](CCC(=O)N[C@@H](CO)C1=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCc1ccccc1

InChI Key InChIKey=JYERGNRHJPIWPT-UHFFFAOYSA-N

Data  1 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 2 hits for monomerid = 50281339   

TargetEnvelope glycoprotein gp160(HIV-1)
TBA

Curated by ChEMBL
LigandPNGBDBM50281339((S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-eth...)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetEnvelope glycoprotein gp160(HIV-1)
TBA

Curated by ChEMBL
LigandPNGBDBM50281339((S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-eth...)
Affinity DataKd:  4.00E+3nMAssay Description:Tested for rate constant of binding to inhibit soluble recombinant CD4-gp120; value ranges form 4-20 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article