BDBM762 BocPhe[CHOH(CH2)3CH=CHPhCO]IleAMBI::L-687,908::tert-butyl N-[(2S,3S,5R)-5-({1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-hydroxy-1-phenyl-5-[(2E)-3-phenylprop-2-en-1-yl]pentan-2-yl]carbamate
SMILES: CCC(C)C(NC(=O)[C@H](C\C=C\c1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1
InChI Key: InChIKey=XETIIHXJGVJJAT-NODMNJIGSA-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) | BDBM762 (BocPhe[CHOH(CH2)3CH=CHPhCO]IleAMBI | L-687,908 | t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1 | |||||||||||
More data for this Ligand-Target Pair |