BDBM9268 (2R)-N-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-2-[(10S)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]-N-(2-methylpropyl)ethane-1-sulfonamido::Cycloamide 33::N-{(2R)-2-hydroxy-2-[(10S)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide

SMILES: CC(C)CN(C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=IGEOPGFVJYMVIT-UKILVPOCSA-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 = 9268   

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)	BDBM9268 ((2R)-N-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-2-[(10S...) Show SMILES CC(C)CN(C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)17-31(40(35,36)21-13-14-26-27(16-21)39-19-38-26)18-25(33)23-11-7-5-3-4-6-8-15-37-28-22(29(34)30-23)10-9-12-24(28)32/h9-10,12-14,16,20,23,25,32-33H,3-8,11,15,17-19H2,1-2H3,(H,30,34)/t23-,25+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-11.6	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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