BDBM348 (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide::1-Valine Methylamide deriv. 1::C2-Symmetric Inhibitor 2::C2-symmetric compound 5::CHEMBL105459::Diol-Based HIV-1 protease inhibitor 2

SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key InChIKey=QHMBKCCJSCSGHG-BQXGFVACSA-N

Data  6 KI  1 IC50  1 Kd  1 Koff  1 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 348   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  0.400nM ΔG°:  -13.0kcal/molepH: 5.0 T: 2°CAssay Description:Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  0.400nMAssay Description:Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  0.400nM Kd:  11nM Koff:  3.55E+5s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Linkoping University

LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  0.800nM ΔG°:  -12.6kcal/molepH: 5.0 T: 2°CAssay Description:A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Linkoping University

LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  0.800nM ΔG°:  -12.6kcal/molepH: 5.0 T: 2°CAssay Description:A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKi:  3.80E+3nM ΔG°:  -7.31kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataIC50:  15nMAssay Description:inhibitory activity against purified HIV-1 protease in a standardized spectrophotometric assay expressed in E. coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM348((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Affinity DataKon:  0.00367M-1s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed