BDBM50066915 (2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid ((R)-2-methyl-1-methylcarbamoyl-butyl)-amide ((S)-2-methyl-1-methylcarbamoyl-butyl)-amide::CHEMBL419596

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

InChI Key: InChIKey=GLKONBHDVMFJNJ-QYUDKBRGSA-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 = 50066915   

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)	BDBM50066915 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES CC[C@H](C)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC([C@H](C)CC)C(=O)NC)C(=O)NC Show InChI InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22+,25?,26?,27-,28-,29-,30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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