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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 8125   

TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00100nMAssay Description:Inhibition of HIV1 protease I50V, A71V mutant by FRET assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi: <0.00100nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00400nMAssay Description:Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00430nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0110nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0270nMAssay Description:Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0320nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.540nMAssay Description:Inhibition of HIV1 protease V82A mutantMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.560nMAssay Description:Inhibition of HIV1 protease I84V mutantMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  1.30nMAssay Description:Inhibition of HIV1 protease I50V mutantMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of HIV1 protease D30N mutantMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

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)
Sanford-Burnham Medical Research Institute

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)
Sanford-Burnham Medical Research Institute

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
TargetHIV-1 protease(Human immunodeficiency virus)
Nektar Therapeutics

US Patent
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  1.5nMAssay Description:Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...More data for this Ligand-Target Pair