BDBM838 Benzocycloalkyl Amines deriv. 8::tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H](O)Cc2ccccc12
InChI Key: InChIKey=ZJBUCZFZQXPYFC-KMMGOQOWSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM838 (Benzocycloalkyl Amines deriv. 8 | tert-butyl N-[(2...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis Curated by ChEMBL | Assay Description Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme. | J Med Chem 43: 4446-51 (2000) BindingDB Entry DOI: 10.7270/Q2S75HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM838 (Benzocycloalkyl Amines deriv. 8 | tert-butyl N-[(2...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 259 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Sharp and Dohme 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: 1228-30 (1991) Article DOI: 10.1021/jm00107a051 BindingDB Entry DOI: 10.7270/Q2XS5SKZ | |||||||||||
More data for this Ligand-Target Pair |