BDBM9641 (S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-[(methylsulfonyl)amino]-3-(2-naphthylsulfonyl)propanamide::D-Cysteine Analog 18c::N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalene-2-sulfonyl)propanamido]-4-phenylbutyl]benzamide
SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O
InChI Key: InChIKey=CFEMEYSXDKRIBE-DCMFLLSESA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM9641 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories | Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep... | J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K | |||||||||||
More data for this Ligand-Target Pair |