BDBM50142740 (E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-enoic acid ethyl ester::CHEMBL48381
SMILES: CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1
InChI Key: InChIKey=MGNPFVTUIUNTGW-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50142740![]() ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase. | Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50142740![]() ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el... | J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50142740![]() ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase. | Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61 | |||||||||||
More data for this Ligand-Target Pair |