BDBM50073134 (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-heptanoylamino]-3-phenyl-propionic acid ethyl ester::CHEMBL109601

SMILES: CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC

InChI Key: InChIKey=ZTCBHOFUKJGZBF-UXMRNZNESA-N

Data: 4 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 4 hits for monomerid = 50073134   

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))	BDBM50073134 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta...) Show SMILES CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Human cathepsin G				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50073134 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta...) Show SMILES CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50073134 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta...) Show SMILES CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of human Serine protease chymase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Beta-chymotrypsin (Bos taurus)	BDBM50073134 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta...) Show SMILES CCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description In vitro inhibition of bovine alpha chymotrypsin.				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair