BDBM50085339 ((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid benzyl ester::CHEMBL303579::acs.jmedchem.1c00409_ST.138

SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key InChIKey=OYHLRJGDELITAF-INIZCTEOSA-N

Data  1 KI  6 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50085339   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataKi:  310nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCathepsin G(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibitory activity against human leukocyte cathepsin GMore data for this Ligand-Target Pair
TargetChymase(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 400nMAssay Description:Inhibitory activity against human serine protease chymaseMore data for this Ligand-Target Pair
TargetTrypsin(Sus scrofa)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 2.10E+5nMAssay Description:Inhibitory activity against porcine pancreatic trypsin (TRP)More data for this Ligand-Target Pair
TargetCysteine protease ATG4B(Homo sapiens (Human))
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 630nMAssay Description:Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assayMore data for this Ligand-Target Pair
TargetChymotrypsinogen A(Bos taurus (bovine))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibitory activity against alpha-chymotrypsin(alpha-CT)More data for this Ligand-Target Pair
TargetChymotrypsin-like elastase family member 2A(Sus scrofa)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50085339(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibitory activity against porcine pancreatic elastase (PPE)More data for this Ligand-Target Pair