BDBM9267 N-((1S)-1-{(1R)-2-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-hydroxyethyl}hept-6-enyl)-2-(but-3-enyloxy)-3-hydroxybenzamide::N-[(2R,3S)-1-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-2-hydroxynon-8-en-3-yl]-2-(but-3-en-1-yloxy)-3-hydroxybenzamide::acyclic inhibitor 32

SMILES: CC(C)CN(C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=PKFVXTQKCHTVBB-AHKZPQOWSA-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 = 9267   

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)	BDBM9267 (N-((1S)-1-{(1R)-2-[(1,3-benzodioxol-5-ylsulfonyl)(...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H42N2O8S/c1-5-7-9-10-13-25(32-31(36)24-12-11-14-26(34)30(24)39-17-8-6-2)27(35)20-33(19-22(3)4)42(37,38)23-15-16-28-29(18-23)41-21-40-28/h5-6,11-12,14-16,18,22,25,27,34-35H,1-2,7-10,13,17,19-21H2,3-4H3,(H,32,36)/t25-,27+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-10.5	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				J Med Chem 48: 3576-85 (2005) Article DOI: 10.1021/jm050019i BindingDB Entry DOI: 10.7270/Q2NS0S39
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