BDBM587 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(2-phenylethyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 6::N1,N 6 -Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(2-phenylethyl)hexanediamide

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key: InChIKey=GHXMNIYXDTYJRJ-RTJSNJMCSA-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 = 587   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM587 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C34H50N4O6/c1-21(2)27(33(43)35-5)37-31(41)25(19-17-23-13-9-7-10-14-23)29(39)30(40)26(20-18-24-15-11-8-12-16-24)32(42)38-28(22(3)4)34(44)36-6/h7-16,21-22,25-30,39-40H,17-20H2,1-6H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)/t25-,26-,27+,28+,29-,30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-13.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Stockholm University					Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...				J Med Chem 44: 3407-16 (2001) Article DOI: 10.1021/jm0011171 BindingDB Entry DOI: 10.7270/Q2862DND
					More data for this Ligand-Target Pair