BDBM771 3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::CHEMBL16584::Cyclooctylpyranone 4::Cyclooctylpyranone 5d
SMILES: Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1
InChI Key: InChIKey=JHWCZVFBDHIFSP-UHFFFAOYSA-N
Data: 3 KI
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM771![]() (3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL 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 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM771![]() (3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | -10.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM771![]() (3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HIV-I protease. | J Med Chem 38: 4463-73 (1995) BindingDB Entry DOI: 10.7270/Q2MP529V | |||||||||||
More data for this Ligand-Target Pair |