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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pancreatic elastase' and Ligand = 'BDBM50014742'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50014742
PNG
(Acetyl-Ala-Ala-Pro-Ala-trifluromethane | CHEMBL130...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H25F3N4O5/c1-8(13(26)17(18,19)20)22-15(28)12-6-5-7-24(12)16(29)10(3)23-14(27)9(2)21-11(4)25/h8-10,12H,5-7H2,1-4H3,(H,21,25)(H,22,28)(H,23,27)/t8-,9-,10-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
150n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair