BDBM50066923 (2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid bis-[((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide]::CHEMBL124770

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

InChI Key: InChIKey=OYHGHUUKXDXKCF-UWNKZCSISA-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 = 50066923   

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)	BDBM50066923 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C40H46N4O8/c1-41-37(47)31(23-27-15-7-3-8-16-27)43-39(49)35(51-25-29-19-11-5-12-20-29)33(45)34(46)36(52-26-30-21-13-6-14-22-30)40(50)44-32(38(48)42-2)24-28-17-9-4-10-18-28/h3-22,31-36,45-46H,23-26H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay				J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93
					More data for this Ligand-Target Pair