BDBM50069667 (S)-3-{[1-((S)-2-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-propionylamino}-propionyl)-pyrrolidine-2-carbonyl]-amino}-4-methyl-2-oxo-pentanoic acid methyl ester::CHEMBL157261

SMILES: COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C

InChI Key: InChIKey=KLAWLTHVLZKWLZ-RMKCDROESA-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 = 50069667   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50069667 ((S)-3-{[1-((S)-2-{(S)-2-[4-(4-Chloro-benzenesulfon...) Show SMILES COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C32H38ClN5O10S/c1-17(2)25(26(39)32(45)48-5)36-30(43)24-7-6-16-38(24)31(44)19(4)35-27(40)18(3)34-28(41)20-8-10-21(11-9-20)29(42)37-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-19,24-25H,6-7,16H2,1-5H3,(H,34,41)(H,35,40)(H,36,43)(H,37,42)/t18-,19-,24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description Tested for rate of substrate hydrolysis in the presence of human neutrophil elastase				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair