BDBM211 2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-[(methoxycarbonyl)amino]-3-methylbutanehydrazido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate::CGP 53820 analog
SMILES: COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C
InChI Key: InChIKey=RIZULOWDBGNKDX-DZUOILHNSA-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) | BDBM211 (2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyc...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 62 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Ciba-Geigy Ltd. | Assay Description A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a... | J Med Chem 39: 3203-16 (1996) Article DOI: 10.1021/jm960022p BindingDB Entry DOI: 10.7270/Q2FT8J7Q | |||||||||||
More data for this Ligand-Target Pair |