BDBM50073132 (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undecanoylamino]-3-phenyl-propionic acid ethyl ester::CHEMBL111745

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

InChI Key: InChIKey=PKBXRCQQXNGCNQ-MBMZGMDYSA-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 = 50073132   

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
Chymase (Homo sapiens (Human))	BDBM50073132 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...) Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/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	6.20E+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 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
Pancreatic elastase (Sus scrofa)	BDBM50073132 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...) Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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
Beta-chymotrypsin (Bos taurus)	BDBM50073132 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...) Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	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
Cathepsin G (Homo sapiens (Human))	BDBM50073132 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec...) Show SMILES CCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/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	6.60E+3	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