BDBM50284991 CHEMBL295499::[(S)-1-((S)-1-{3-[(S)-1-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-2-phenyl-ethyl]-oxiranyl}-2-phenyl-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1OC1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key: InChIKey=NQNOUICJQDLKBY-NNOQJNSXSA-N

Data: 1 KI

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 = 50284991   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50284991 (CHEMBL295499 | [(S)-1-((S)-1-{3-[(S)-1-((S)-2-Benz...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1OC1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H52N4O7/c1-29(2)37(47-43(51)53-27-33-21-13-7-14-22-33)41(49)45-35(25-31-17-9-5-10-18-31)39-40(55-39)36(26-32-19-11-6-12-20-32)46-42(50)38(30(3)4)48-44(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-40H,25-28H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)/t35-,36-,37-,38-,39?,40?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition activity against HIV-1 protease				Bioorg Med Chem Lett 5: 1843-1848 (1995) Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J
					More data for this Ligand-Target Pair