BDBM846 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-phenylphenyl)methoxy]hexanediamide::C2-Symmetric inhibitor 4::N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2R,3R,4R,5R)-2,5-bis(4-phenylbenzyloxy)-3,4-dihydroxyhexanediamide
SMILES: CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
InChI Key: InChIKey=BOHAIUZINOMMEV-OYEZVYLDSA-N
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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM846 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.700 | -12.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a... | J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX | |||||||||||
More data for this Ligand-Target Pair |