BDBM150 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one::DMP323

SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1

InChI Key InChIKey=XCVGQMUMMDXKCY-WZJLIZBTSA-N

Data  13 KI  2 IC50  1 Kd  1 Koff  1 Kon

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 150   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.270nM Kd:  3.83nM Koff:  2.52E+10s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.270nM ΔG°:  -13.6kcal/molepH: 5.5 T: 37°CAssay Description:Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.290nMAssay Description:HIV protease inhibition.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.310nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.310nMAssay Description:Inhibitory activity was evaluated against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.310nMAssay Description:Tested for inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.320nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.320nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.330nMAssay Description:Binding affinity to inhibit the purified wild-type HIV-1 ProteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.340nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.340nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.340nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi: <1nM ΔG°: <-12.8kcal/mole IC50:  15nMpH: 5.5 T: 37°CAssay Description:The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKon:  83M-1s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataIC50:  110nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in cord blood mononuclear cells (CBMC) infected with HIV -1 TC354...More data for this Ligand-Target Pair