BDBM906 (4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-N-[1H-1,3-benzodiazol-2-yl(phenyl)methyl]-4-hydroxy-6-phenylhexanamide::5-(L-Alanyl-L-alanylamino)-4-hydroxy-phenylhexanoic Acid ((1H-BenzimiaazOl-2-yl)phenylmethyl)amide::C-terminal inhibitor 4::CHEMBL15049
SMILES: C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1
InChI Key: InChIKey=YBGCMTJQLKVFHV-FBPJRDHTSA-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) | BDBM906 ((4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propana...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem | PubMed | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity against HIV -1 protease | J Med Chem 37: 1145-52 (1994) BindingDB Entry DOI: 10.7270/Q2TM795W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM906 ((4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propana...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem | Article PubMed | 5.37E+3 | -7.47 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
Agouron Pharmaceuticals, Inc. | Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache... | J Med Chem 37: 2274-84 (1994) Article DOI: 10.1021/jm00041a005 BindingDB Entry DOI: 10.7270/Q29021XP | |||||||||||
More data for this Ligand-Target Pair |