BDBM50023615 CHEBI:608828::DP178::ENFUVIRTIDE::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:
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GP41 (Human immunodeficiency virus 1) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay 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... | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GP41 (Human immunodeficiency virus 1) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay 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... | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GP41 (Human immunodeficiency virus 1) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 542 | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay 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... | J Med Chem 57: 7342-54 (2014) Article DOI: 10.1021/jm500763m BindingDB Entry DOI: 10.7270/Q2GF0W3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GP41 (Human immunodeficiency virus 1) | BDBM50023615 (CHEBI:608828 | DP178 | ENFUVIRTIDE | Enfuvirtide |...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Binding affinity to HIV1 gp41 (46 residues) by surface plasmon resonance method | J Med Chem 58: 1372-9 (2015) Article DOI: 10.1021/jm5016582 BindingDB Entry DOI: 10.7270/Q2VM4DX5 | |||||||||||
More data for this Ligand-Target Pair |