BDBM50009252 CHEMBL266682::CHEMBL3350612::methyl 2-[1-[7-[1-amino-(1S)-ethylcarboxamido]-4-benzyl-3-hydroxy-6-oxo-(3R,4S,7S)-octylcarboxamido]-2-methyl-(1S)-propylcarboxamido]-3-methyl-(2S)-butanoate
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
InChI Key: InChIKey=XZAZZMPUCLUZOP-AECFVDQFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50009252 (CHEMBL3350612 | methyl 2-[1-[7-[1-amino-(1S)-ethyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity for HIV-1 protease | J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50009252 (CHEMBL3350612 | methyl 2-[1-[7-[1-amino-(1S)-ethyl...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description The compound was tested for its affinity against HIV-2 protease | J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21 | |||||||||||
More data for this Ligand-Target Pair |