BDBM50085345 CHEMBL60776::N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(4-hydroxy-phenyl)-propionamide

SMILES: Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1

InChI Key: InChIKey=XKAYYQOZIMXLDI-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 = 50085345   

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
Cathepsin G (Homo sapiens (Human))	BDBM50085345 (CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/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	9.10E+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))	BDBM50085345 (CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/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	2.70E+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
Pancreatic elastase (Sus scrofa)	BDBM50085345 (CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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)	BDBM50085345 (CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/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))	BDBM50085345 (CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity against 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