BDBM50156145 2,7-Bis-[3-(1-hydroxyamino-ethyl)-benzyl]-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda*6*-[1,2,7]thiadiazepane-4,5-diol::CHEMBL190112
SMILES: CC(NO)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)NO)S2(=O)=O)c1
InChI Key: InChIKey=BBEBLHGCLHTBRC-OHHGTCQSSA-N
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 protease (Human immunodeficiency virus type 1) | BDBM50156145 (2,7-Bis-[3-(1-hydroxyamino-ethyl)-benzyl]-1,1-diox...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50156145 (2,7-Bis-[3-(1-hydroxyamino-ethyl)-benzyl]-1,1-diox...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair |