BDBM50226401 CHEMBL3143927

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)Oc1c(F)c(F)c(F)c(F)c1F

InChI Key: InChIKey=PYFBDGGFPQKJMS-KKUMJFAQSA-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 = 50226401   

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))	BDBM50226401 (CHEMBL3143927) 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)Oc1c(F)c(F)c(F)c(F)c1F |r| Show InChI InChI=1S/C27H33F5N4O8/c1-12(2)36(27(42)44-24-22(31)20(29)19(28)21(30)23(24)32)11-16(37)15-7-6-10-35(15)26(41)14(4)34-25(40)13(3)33-17(38)8-9-18(39)43-5/h12-15H,6-11H2,1-5H3,(H,33,38)(H,34,40)/t13-,14-,15-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+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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