BDBM50091873 CHEMBL63717::[(S)-1-Benzyl-2-oxo-2-((S)-3-oxo-2-phenylsulfanyl-pyrrolidin-1-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@@H]1Sc1ccccc1

InChI Key: InChIKey=JHHZKKVMHFMOCZ-UGKGYDQZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091873   

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)	BDBM50091873 (CHEMBL63717 | [(S)-1-Benzyl-2-oxo-2-((S)-3-oxo-2-p...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)21(28)26-15-14-20(27)22(26)31-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,25,29)/t19-,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de la Méditerranée Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV-1 protease				Bioorg Med Chem Lett 10: 2023-6 (2001) BindingDB Entry DOI: 10.7270/Q2PR7V7J
					More data for this Ligand-Target Pair