BDBM50071621 (S)-N*1*-((S)-1-{(2R,3S)-3-[((S)-1-Benzyl-2-methyl-propylcarbamoyl)-methyl]-oxiranyl}-2-phenyl-ethyl)-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL79128

SMILES: CC(C)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=MSJPUSRCOPZRLL-HAVNOEEISA-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 = 50071621   

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)	BDBM50071621 ((S)-N*1*-((S)-1-{(2R,3S)-3-[((S)-1-Benzyl-2-methyl...) Show SMILES CC(C)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C37H41N5O5/c1-23(2)29(19-24-11-5-3-6-12-24)40-34(44)22-32-35(47-32)30(20-25-13-7-4-8-14-25)41-37(46)31(21-33(38)43)42-36(45)28-18-17-26-15-9-10-16-27(26)39-28/h3-18,23,29-32,35H,19-22H2,1-2H3,(H2,38,43)(H,40,44)(H,41,46)(H,42,45)/t29-,30-,31-,32-,35+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for 50% irreversible inhibition of HIV-1 protease; value ranges from 10-50				Bioorg Med Chem Lett 8: 2423-6 (1999) BindingDB Entry DOI: 10.7270/Q21V5D46
					More data for this Ligand-Target Pair