BDBM50333244 CHEMBL1645255::N1-(4-chloro-3-fluorophenyl)-N2-(((3aS,6aS)-octahydrocyclopenta[c]pyrrol-3a-yl)methyl)oxalamide

SMILES c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl

InChI Key InChIKey=BZIHKIJDFGVAIC-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50333244   

TargetEnvelope glycoprotein gp160(HIV-1)
Bryn Mawr College

Curated by ChEMBL
LigandPNGBDBM50333244(N1-(4-chloro-3-fluorophenyl)-N2-(((3aS,6aS)-octahy...)
Affinity DataIC50: 6.83E+4nMAssay Description:Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(HIV-1)
Bryn Mawr College

Curated by ChEMBL
LigandPNGBDBM50333244(N1-(4-chloro-3-fluorophenyl)-N2-(((3aS,6aS)-octahy...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to HIV1 YU2 gp120 by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMed