BDBM50075108 2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,1-dimethylpropanoic anhydride::CHEMBL338962

SMILES: CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl

InChI Key: InChIKey=GCAVMNHOWDAVHA-UHFFFAOYSA-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 = 50075108   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50075108 (2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20E+3	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))	BDBM50075108 (2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)	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	140	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
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50075108 (2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)	PDB UniProtKB/SwissProt 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 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)	BDBM50075108 (2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	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
Chymase (Homo sapiens (Human))	BDBM50075108 (2-(2-chlorophenyl)-2-(4-cyanophenylcarboxamido)-1,...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1Cl Show InChI InChI=1S/C38H32Cl2N4O5/c1-37(2,31(27-9-5-7-11-29(27)39)43-33(45)25-17-13-23(21-41)14-18-25)35(47)49-36(48)38(3,4)32(28-10-6-8-12-30(28)40)44-34(46)26-19-15-24(22-42)16-20-26/h5-20,31-32H,1-4H3,(H,43,45)(H,44,46)	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	4.70E+4	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