BDBM1088 (4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1,3,6-tris(phenylmethyl)-5-hydroxy-4-(2-phenylethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 19
SMILES: O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1
InChI Key: InChIKey=DZTSJPNBPICINL-XWHIBYANSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 15 | -11.1 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-... | J Med Chem 40: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company | Assay Description Inhibition constant of HIV protease inhibitors | J Med Chem 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease | J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for the inhibitory activity against HIV-protease | Bioorg Med Chem Lett 7: 501-504 (1997) Article DOI: 10.1016/S0960-894X(97)00007-3 BindingDB Entry DOI: 10.7270/Q24J0F4J | |||||||||||
More data for this Ligand-Target Pair |