BDBM4138 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(4-phenylphenyl)butanoyl]pyrrolidine-2-carboxamide::(3-Hydroxy-2-methylbenzoyl)-{2(S)-hydroxy-3(S)-amino-4-(4-phenyl)-phenylbutanoyl}-4(S)-Cl-Pro-NH-t-Bu::AHPBA deriv. 23
SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C
InChI Key: InChIKey=XGBWMQFBISAPFD-CXXWFMJBSA-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) | BDBM4138 ((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co. Ltd. | Assay Description The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as... | Bioorg Med Chem 7: 2063-72 (1999) Article DOI: 10.1016/s0968-0896(99)00127-3 BindingDB Entry DOI: 10.7270/Q23T9FD0 | |||||||||||
More data for this Ligand-Target Pair |