BDBM50089099 (S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-methylsulfanyl-butyrylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-propionic acid::CHEMBL20112

SMILES: CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=JQVGPPWAXQSINC-WNHJNPCNSA-N

Data: 1 KI

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 1 hit for monomerid = 50089099   

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)	BDBM50089099 ((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-methylsulfanyl-...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C23H36N4O5S/c1-14(2)12-18(21(29)25-15(3)23(31)32)27-22(30)19(13-16-8-6-5-7-9-16)26-20(28)17(24)10-11-33-4/h5-9,14-15,17-19H,10-13,24H2,1-4H3,(H,25,29)(H,26,28)(H,27,30)(H,31,32)/t15-,17-,18-,19-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oxford Centre for Molecular Sciences Curated by ChEMBL					Assay Description Peptide was tested for inhibition constant for competitive inhibition using Suc-AAPA-pNa and Pancreatic elastase				Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD
					More data for this Ligand-Target Pair