BindingDB logo
myBDB logout

BDBM50226398 CHEMBL3143926

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)OCC(F)(F)C(F)(F)C(F)(F)F

InChI Key: InChIKey=GEDIKDMXXTURHY-JYJNAYRXSA-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 = 50226398   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50226398
PNG
(CHEMBL3143926)
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)OCC(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H35F7N4O8/c1-13(2)36(22(42)44-12-23(26,27)24(28,29)25(30,31)32)11-17(37)16-7-6-10-35(16)21(41)15(4)34-20(40)14(3)33-18(38)8-9-19(39)43-5/h13-16H,6-12H2,1-5H3,(H,33,38)(H,34,40)/t14-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.21E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00158a025
BindingDB Entry DOI: 10.7270/Q2NG4ST4
More data for this
Ligand-Target Pair