BDBM50124719 (4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-butyl-4,7-bis-(3,5-dimethyl-benzyl)-5,6-dihydroxy-[1,3]diazepan-2-one::CHEMBL442770
SMILES: CCCCN1[C@H](Cc2cc(C)cc(C)c2)[C@H](O)[C@@H](O)[C@@H](Cc2cc(C)cc(C)c2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O
InChI Key: InChIKey=YBOQWURBTADCQS-FYZVQMPESA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50124719 ((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity of the compound against HIV-Protease was determined | Bioorg Med Chem Lett 13: 605-8 (2003) BindingDB Entry DOI: 10.7270/Q27D2THB | |||||||||||
More data for this Ligand-Target Pair |