BDBM723 CHEMBL277908::Pyrrolinone inhibitor 4::tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
SMILES: [H][C@](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=ZJBUCZFZQXPYFC-ZDKASERPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM723 (CHEMBL277908 | Pyrrolinone inhibitor 4 | tert-buty...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 5.5 | 30 |
University of Pennsylvania | Assay Description All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleava... | J Med Chem 46: 1831-44 (2003) Article DOI: 10.1021/jm0204587 BindingDB Entry DOI: 10.7270/Q2GQ6VZC | |||||||||||
More data for this Ligand-Target Pair |