BDBM50065089 (4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylethyl)-2-(1H)-pyrimidinone::(4R,5R,6R)-tetrahydro-1,3-bis-](3-(N-Hydroxy-benzamidine)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-[(6-Benzyl-5-hydroxy-2-oxo-4-phenethyl-tetrahydro-pyrimidin-1-yl)bis-(methyl-N-hydroxy-benzamidine)]::3-[4-benzyl-3-(3-carbamoylbenzyl)-5-hydroxy-2-oxo-6-phenethyl-(4R,5R,6R)-hexahydro-1-pyrimidinylmethyl]N-hydroxy-benzamidine::CHEMBL284942::Tetrahydropyrimidinone derivative
SMILES: ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1
InChI Key: InChIKey=SMPFVGOGVVEABT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50065089 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dupont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibitory activity against HIV protease | J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50065089 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | 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) | BDBM50065089 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | 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) | BDBM50065089 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibitory activity of compound against HIV-1 aspartyl protease. | Bioorg Med Chem Lett 12: 3453-7 (2002) BindingDB Entry DOI: 10.7270/Q2B27WG3 | |||||||||||
More data for this Ligand-Target Pair |