BDBM50075106 1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic anhydride::CHEMBL134821

SMILES: CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1

InChI Key: InChIKey=AZTARPFJXYNPTC-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50075106   

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)	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PPE)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human chymase (h-chymase)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PPE)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair