BDBM9236 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate::TMC-126::UIC-94003

SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1

InChI Key InChIKey=BINXAIIXOUQUKC-UIPNDDLNSA-N

Data  4 KI  1 EC50

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 9236   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Kumamoto University Graduate School Of Medical And Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM9236((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV1 protease dimerization in MT2 cellsMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Kumamoto University Graduate School Of Medical And Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM9236((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0140nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM9236((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0140nM ΔG°:  -14.8kcal/mole EC50:  1.20nMpH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM9236((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0150nM ΔG°:  -14.8kcal/molepH: 6.4 T: 2°CAssay 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...More data for this Ligand-Target Pair