null

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=QMCVFDPMIZPVDS-WZJLIZBTSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 161   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
DuPont Merck Pharmaceutical Company

LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)copy SMILEScopy InChI
Affinity DataKi:  0.0180nM ΔG°:  -15.2kcal/molepH: 5.5 T: 2°CMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1J3MPubMed
TargetHIV-1 protease(Human immunodeficiency virus)
DuPont Merck Pharmaceutical Company

LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)copy SMILEScopy InChI
Affinity DataKi:  0.0180nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78CK2PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)copy SMILEScopy InChI
Affinity DataKi:  0.0180nMAssay Description:Inhibitory activity was evaluated against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8SVC
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)copy SMILEScopy InChI
Affinity DataKi:  0.0180nMAssay Description:Compound was evaluated for inhibition of HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FQ9VRHPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)copy SMILEScopy InChI
Affinity DataKi:  0.0180nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41QJWPubMed