BDBM9251 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-(2-oxo-16-phenyl-1-oxa-3-azacyclohexadec-8-en-3-yl)-1-phenylbutan-2-yl]carbamate::Cyclourethane 26

SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCC=CCCCCCCC(OC1=O)c1ccccc1

InChI Key: InChIKey=PUNIEWFKHFDVJS-RCKZYGHQSA-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 = 9251   

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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9251 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCC=CCCCCCCC(OC1=O)c1ccccc1 |r,w:32.35| Show InChI InChI=1S/C37H50N2O7/c40-32(31(25-28-17-11-9-12-18-28)38-36(41)45-34-27-44-35-30(34)22-24-43-35)26-39-23-16-8-6-4-2-1-3-5-7-15-21-33(46-37(39)42)29-19-13-10-14-20-29/h2,4,9-14,17-20,30-35,40H,1,3,5-8,15-16,21-27H2,(H,38,41)/t30-,31-,32+,33?,34-,35+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	162	-9.26	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...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
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