BDBM50085342 CHEMBL61059::N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(2,3-dimethoxy-phenyl)-propionamide

SMILES: COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC

InChI Key: InChIKey=QHSLGRRTYQTUMZ-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 = 50085342   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50085342 (CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/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	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
Chymase (Homo sapiens (Human))	BDBM50085342 (CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/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	890	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)	BDBM50085342 (CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/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)	BDBM50085342 (CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/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
Cathepsin G (Homo sapiens (Human))	BDBM50085342 (CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...) Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/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	3.60E+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