BDBM9265 3-hydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}ethyl)hept-6-enyl]-2-(pent-4-enyloxy)benzamide::3-hydroxy-N-[(2R,3S)-2-hydroxy-1-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]non-8-en-3-yl]-2-(pent-4-en-1-yloxy)benzamide::acyclic inhibitor 21

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCCC=C

InChI Key: InChIKey=PZQYHDLWEHJYEA-MFMCTBQISA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9265   

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)	BDBM9265 (3-hydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobutyl[(4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCCC=C |r| Show InChI InChI=1S/C32H46N2O7S/c1-6-8-10-11-15-28(33-32(37)27-14-13-16-29(35)31(27)41-21-12-9-7-2)30(36)23-34(22-24(3)4)42(38,39)26-19-17-25(40-5)18-20-26/h6-7,13-14,16-20,24,28,30,35-36H,1-2,8-12,15,21-23H2,3-5H3,(H,33,37)/t28-,30+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-11.0	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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