BDBM50085355 CHEMBL60080::N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(4-chloro-phenyl)-propionamide

SMILES: ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1

InChI Key: InChIKey=AHGLOYLSWSBUDE-KRWDZBQOSA-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 = 50085355   

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)	BDBM50085355 (CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1	MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	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
Trypsin (Sus scrofa)	BDBM50085355 (CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1	PDB MMDB 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))	BDBM50085355 (CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+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
Chymase (Homo sapiens (Human))	BDBM50085355 (CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+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))	BDBM50085355 (CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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