BDBM4215 AHPBA 1a::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
SMILES: CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChI Key: InChIKey=XCVUOCMQYKSJJR-IGRGDXOOSA-N
PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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) | BDBM4215 (AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research Canada Curated by ChEMBL | Assay Description Binding affinity against HIV Protease enzyme.(by Dixon analysis) | J Med Chem 35: 1318-20 (1992) BindingDB Entry DOI: 10.7270/Q2W959T5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM4215 (AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 57.5 | -10.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sankyo Co. Ltd. | Assay Description The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as... | Bioorg Med Chem 4: 1365-77 (1996) Article DOI: 10.1016/0968-0896(96)00130-7 BindingDB Entry DOI: 10.7270/Q2V9868K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM4215 (AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research Canada Curated by ChEMBL | Assay Description Inhibitory activity of the Compound was tested against HIV protease enzyme. | J Med Chem 35: 1318-20 (1992) BindingDB Entry DOI: 10.7270/Q2W959T5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM4215 (AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University Curated by ChEMBL | Assay Description Inhibitory potency against HIV-1 protease | J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT | |||||||||||
More data for this Ligand-Target Pair |