BDBM50628894 CHEMBL5413691

SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CN(C[C@H](CC(C)C)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1ccc(O)cc1)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@@H](NC(=O)CN(C[C@H](CCCCN)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C[C@H](CCSC)NC(C)=O)S(=O)(=O)c1ccc(OC)cc1)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(cc1)C(O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)[C@H](C)CC)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(cc1)C(O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)CCN)[C@H](C)CC)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(cc1)C(O)=O)S(=O)(=O)CC(C)C)C(N)=O

InChI Key InChIKey=SIEYMSQTICWOBT-UHFFFAOYSA-N

Data  2 Kd

  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 2 hits for monomerid = 50628894   

TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50628894(CHEMBL5413691)
Affinity DataKd:  670nMAssay Description:Binding affinity to HIV1 GP41 using GP41 NHR derived N36 peptide assessed as binding constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
University of South Florida

Curated by ChEMBL
LigandPNGBDBM50628894(CHEMBL5413691)
Affinity DataKd: >4.60E+4nMAssay Description:Binding affinity to HIV1 GP41 using GP41 NHR derived N36 peptide assessed as binding constant in presence of C34 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed