BDBM12311 (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide::3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide::BOCEPREVIR::SCH 503034::acs.jmedchem.1c00409_ST.355
SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
InChI Key InChIKey=LHHCSNFAOIFYRV-DOVBMPENSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 12311
TargetGenome polyprotein(Hepatitis C virus (HCV genotype 1a, isolate H))
Schering-Plough Research Institute
Schering-Plough Research Institute
Affinity DataKi: 14nMAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 14nMAssay Description:Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
TargetGenome polyprotein(Hepatitis C virus (HCV genotype 1a, isolate H))
Schering-Plough Research Institute
Schering-Plough Research Institute
Affinity DataKi: 14nM ΔG°: -10.9kcal/molepH: 6.5 T: 2°CAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
Affinity DataIC50: 75nMAssay Description:Inhibition of human Cathepsin VMore data for this Ligand-Target Pair
Affinity DataIC50: 120nMAssay Description:Inhibition of human Cathepsin SMore data for this Ligand-Target Pair
Affinity DataIC50: 760nMAssay Description:Inhibition of human Cathepsin LMore data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human Cathepsin FMore data for this Ligand-Target Pair
Affinity DataIC50: >3.30E+3nMAssay Description:Inhibition of human Cathepsin BMore data for this Ligand-Target Pair
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of human CatB after 60 mins fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human leukocyte elastase after 60 mins fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:Inhibition of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substr...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Affinity DataIC50: 5.40E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
Affinity DataEC50: 1.31E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of N-terminal recombinant SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-TSAVLQ-SGFRKMK-Edans as subs...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of SARS-CoV2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQ/SGFRKME (Edans) as...More data for this Ligand-Target Pair
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.72E+4nMAssay Description:Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using 2-Abz-Ser-AlaVal-Leu-Gln-Ser-Gly-Tyr(3-...More data for this Ligand-Target Pair
Affinity DataIC50: 1.21E+4nMAssay Description:Inhibition of His6-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate pre...More data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
Affinity DataIC50: 4.13E+3nMAssay Description:Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hrMore data for this Ligand-Target Pair
Affinity DataIC50: 32nMAssay Description:Inhibition of human ChymaseMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human Neutrophil elastase 2More data for this Ligand-Target Pair
TargetChymotrypsin-like elastase family member 1(Homo sapiens (Human))
Merck Research Laboratories
Curated by ChEMBL
Merck Research Laboratories
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human Pancreatic elastase 1More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human plasminMore data for this Ligand-Target Pair