BDBM50085339 ((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid benzyl ester::CHEMBL303579

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

InChI Key: InChIKey=OYHLRJGDELITAF-INIZCTEOSA-N

Data: 6 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50085339   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50085339 (((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	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars		310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50085339 (((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G				Bioorg Med Chem Lett 10: 199-201 (2000) BindingDB Entry DOI: 10.7270/Q2VM4BGH
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50085339 (((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against human serine protease chymase				Bioorg Med Chem Lett 10: 199-201 (2000) BindingDB Entry DOI: 10.7270/Q2VM4BGH
					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50085339 (((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	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP)				Bioorg Med Chem Lett 10: 199-201 (2000) BindingDB Entry DOI: 10.7270/Q2VM4BGH
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50085339 (((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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay				Eur J Med Chem 123: 631-638 (2016) Article DOI: 10.1016/j.ejmech.2016.07.073 BindingDB Entry DOI: 10.7270/Q2FT8P1P
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50085339 (((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against alpha-chymotrypsin(alpha-CT)				Bioorg Med Chem Lett 10: 199-201 (2000) BindingDB Entry DOI: 10.7270/Q2VM4BGH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50085339 (((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	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PPE)				Bioorg Med Chem Lett 10: 199-201 (2000) BindingDB Entry DOI: 10.7270/Q2VM4BGH
					More data for this Ligand-Target Pair