BDBM50085366 CHEMBL292834::N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(4-methoxy-phenyl)-propionamide

SMILES: COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1

InChI Key: InChIKey=LKABSTSSAOAMPA-SFHVURJKSA-N

Data: 5 IC50

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 5 hits for monomerid = 50085366   

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
Pancreatic elastase (Sus scrofa)	BDBM50085366 (CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+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 elastase (PPE)				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))	BDBM50085366 (CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	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
Cathepsin G (Homo sapiens (Human))	BDBM50085366 (CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+3	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
Trypsin (Sus scrofa)	BDBM50085366 (CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50085366 (CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...) Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	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