BDBM50091872 CHEMBL62621::[(S)-1-(4-Methoxy-benzyl)-2-oxo-2-((S)-3-oxo-2-phenylsulfanyl-pyrrolidin-1-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES: COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=O)[C@@H]2Sc2ccccc2)cc1

InChI Key: InChIKey=NIFXWGVZTBUVKL-REWPJTCUSA-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 = 50091872   

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)	BDBM50091872 (CHEMBL62621 | [(S)-1-(4-Methoxy-benzyl)-2-oxo-2-((...) Show SMILES COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=O)[C@@H]2Sc2ccccc2)cc1 Show InChI InChI=1S/C25H30N2O5S/c1-25(2,3)32-24(30)26-20(16-17-10-12-18(31-4)13-11-17)22(29)27-15-14-21(28)23(27)33-19-8-6-5-7-9-19/h5-13,20,23H,14-16H2,1-4H3,(H,26,30)/t20-,23-/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+4	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