BDBM9266 (2R)-2-hydroxy-2-[(11S)-17-hydroxy-13-oxo-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1,12-benzoxazacyclopentadecin-11-yl]-N-(4-methoxyphenyl)-N-(2-methylpropyl)ethane-1-sulfonamido::Cycloamide 27::N-{(2R)-2-hydroxy-2-[(11S)-17-hydroxy-13-oxo-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1,12-benzoxazacyclopentadecin-11-yl]ethyl}-N-isobutyl-4-methoxybenzenesulfonamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCCCOc2c(O)cccc2C(=O)N1

InChI Key: InChIKey=XAJNFGMYCCUBDT-XTEPFMGCSA-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 = 9266   

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)	BDBM9266 ((2R)-2-hydroxy-2-[(11S)-17-hydroxy-13-oxo-2,3,4,5,...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCCCOc2c(O)cccc2C(=O)N1 |r| Show InChI InChI=1S/C30H44N2O7S/c1-22(2)20-32(40(36,37)24-17-15-23(38-3)16-18-24)21-28(34)26-13-9-7-5-4-6-8-10-19-39-29-25(30(35)31-26)12-11-14-27(29)33/h11-12,14-18,22,26,28,33-34H,4-10,13,19-21H2,1-3H3,(H,31,35)/t26-,28+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-11.9	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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