BDBM50009261 CHEMBL296115::CHEMBL308780::L-685434::[1-Benzyl-2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester
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-KIWMWGIHSA-N
Data: 1 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) | BDBM50009261 (CHEMBL296115 | L-685434 | [1-Benzyl-2-hydroxy-4-(2...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description The compound was tested for its affinity against HIV-1 protease | J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21 | |||||||||||
More data for this Ligand-Target Pair |