BDBM9243 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[(5Z)-2-oxo-14-phenyl-1-oxa-3-azacyclotetradec-5-en-3-yl]-1-phenylbutan-2-yl]carbamate::Cyclourethane 20

SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCCCCC(OC1=O)c1ccccc1

InChI Key: InChIKey=ATKGTYUGMFKFHM-WJKGLYSCSA-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 = 9243   

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)	BDBM9243 ((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)CN1C\C=C/CCCCCCCC(OC1=O)c1ccccc1 |r,c:31| Show InChI InChI=1S/C35H46N2O7/c38-30(29(23-26-15-9-7-10-16-26)36-34(39)43-32-25-42-33-28(32)20-22-41-33)24-37-21-14-6-4-2-1-3-5-13-19-31(44-35(37)40)27-17-11-8-12-18-27/h6-12,14-18,28-33,38H,1-5,13,19-25H2,(H,36,39)/b14-6-/t28-,29-,30+,31?,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	229	-9.05	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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