BDBM50023615 CHEBI:608828::DP178::Enfuvirtide::Fuzeon::Fuzeon T-20::Pentafuside

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key

Data  4 IC50  1 Kd  3 EC50

  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 = 50023615   

TargetEnv polyprotein(Human immunodeficiency virus 1)
Beijing Institute Of Pharmacology & Toxicology

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataEC50:  10nMAssay Description:Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnv polyprotein(Human immunodeficiency virus 1)
Beijing Institute Of Pharmacology & Toxicology

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataEC50:  14nMAssay Description:Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnv polyprotein(Human immunodeficiency virus 1)
Beijing Institute Of Pharmacology & Toxicology

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataEC50:  542nMAssay Description:Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells com...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEnv polyprotein(Human immunodeficiency virus 1)
Beijing Institute Of Pharmacology & Toxicology

Curated by ChEMBL
LigandPNGBDBM50023615(CHEBI:608828 | DP178 | Enfuvirtide | Fuzeon | Fuze...)
Affinity DataKd:  182nMAssay Description:Binding affinity to HIV1 gp41 (46 residues) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed