BDBM4685 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate::CHEMBL206031::GW0385::[3H]GW0385

SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=JORVRJNILJXMMG-OLNQLETPSA-N

Data  7 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 4685   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000150nM ΔG°:  -19.2kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000150nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000150nMAssay Description:Displacement of [3H]GW0385 from HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000750nM ΔG°:  -16.8kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00200nM ΔG°:  -16.2kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00340nM ΔG°:  -15.9kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00680nMAssay Description:Inhibition of HIV1 protease dimerization in MT2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  2.41E+4nMAssay Description:Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed