BDBM50333243 CHEMBL1645256::N1-(4-chloro-3-fluorophenyl)-N2-((1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)oxalamide

SMILES Fc1cc(NC(=O)C(=O)NCC2NCCc3ccccc23)ccc1Cl

InChI Key InChIKey=REQBBGSBIRNOFT-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50333243   

TargetEnvelope glycoprotein gp160(HIV-1)
Bryn Mawr College

Curated by ChEMBL
LigandPNGBDBM50333243(N1-(4-chloro-3-fluorophenyl)-N2-((1,2,3,4-tetrahyd...)
Affinity DataIC50: 5.04E+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
LigandPNGBDBM50333243(N1-(4-chloro-3-fluorophenyl)-N2-((1,2,3,4-tetrahyd...)
Affinity DataKd:  1.20E+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