BDBM31817 GRL-02031::methyl-2-pyrrolidinone, 19b

SMILES [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1

InChI Key InChIKey=RPIALZPTIFOQGC-CXLNPQPMSA-N

Data  6 KI

PDB links: 6 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 31817   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.0990nM ΔG°:  -13.6kcal/molepH: 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
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Georgia State University

Curated by ChEMBL
LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.440nMAssay Description:Inhibition of HIV1 wild type protease using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.460nMAssay Description:Inhibition of HIV1 protease I47V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.650nMAssay Description:Inhibition of HIV1 protease V82A mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.800nMAssay Description:Inhibition of HIV1 protease L76V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM31817(GRL-02031 | methyl-2-pyrrolidinone, 19b)
Affinity DataKi:  0.920nMAssay Description:Inhibition of HIV1 protease N88D mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometryMore data for this Ligand-Target Pair