BDBM50226396 CHEMBL3143922

SMILES: COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccccc1

InChI Key: InChIKey=MUTFWDQOOOZSMW-ZJOUEHCJSA-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 = 50226396   

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 (Pig))	BDBM50226396 (CHEMBL3143922) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C27H38N4O8/c1-17(2)31(27(37)39-20-10-7-6-8-11-20)16-22(32)21-12-9-15-30(21)26(36)19(4)29-25(35)18(3)28-23(33)13-14-24(34)38-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,28,33)(H,29,35)/t18-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
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