BDBM8125 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::CHEMBL1323::Darunavir::Darunavir (DRV)::TMC-114::UIC-94017::US10806794, Compound Darunavir

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(N)cc1

InChI Key InChIKey=CJBJHOAVZSMMDJ-HEXNFIEUSA-N

Data  59 KI  28 IC50  1 Kd  9 EC50

PDB links: 72 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 8125   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  9nMAssay Description:Inhibition of wild type HIV1 protease by enzyme inhibitionMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  18nMAssay Description:Inhibition of wild type HIV1 protease by uncompetitive bindingMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  22nMAssay Description:Inhibition of wild type HIV1 protease by competitive bindingMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  54nMAssay Description:Inhibition of HIV1 protease V32I mutant by enzyme inhibitionMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  180nMAssay Description:Inhibition of HIV1 protease V32I mutant by uncompetitive bindingMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  300nMAssay Description:Inhibition of HIV1 protease V32I mutant by competitive bindingMore data for this Ligand-Target Pair