BDBM933 5PhBuCOOH deriv.::Statine deriv. 13::Tle-Val-Sta::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenyl-4-[(4-phenylphenyl)amino]butan-2-yl]carbamoyl}-2-methylpropyl]carbamate
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=HMSKCZXYEIDCLU-LVINFGBXSA-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) | BDBM933 (5PhBuCOOH deriv. | Statine deriv. 13 | Tle-Val-Sta...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 58.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL | Assay Description Inhibitory activity was determined against HIV type 1 protease | J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM933 (5PhBuCOOH deriv. | Statine deriv. 13 | Tle-Val-Sta...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 59 | -10.3 | n/a | n/a | n/a | n/a | n/a | 6.25 | 37 |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair |