BDBM493 (Hydroxyethyl)urea Isostere deriv. 21::benzyl N-[(1S)-1-{[(2S,3R)-4-[(tert-butylcarbamoyl)(pyridin-4-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
SMILES: CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccncc1
InChI Key: InChIKey=YKTNGJFMMFMSNS-HZFUHODCSA-N
Data: 2 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 protease (Human immunodeficiency virus type 1) | BDBM493![]() ((Hydroxyethyl)urea Isostere deriv. 21 | benzyl N-[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 Protease | J Med Chem 37: 2206-15 (1994) BindingDB Entry DOI: 10.7270/Q29C6ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM493![]() ((Hydroxyethyl)urea Isostere deriv. 21 | benzyl N-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 105 | n/a | n/a | n/a | n/a | 6.4 | 25 |
Monsanto Corporate Research | Assay Description IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench... | J Med Chem 36: 288-91 (1993) Article DOI: 10.1021/jm00054a014 BindingDB Entry DOI: 10.7270/Q2WW7FTF | |||||||||||
More data for this Ligand-Target Pair |