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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pancreatic elastase' and Ligand = 'BDBM50029703'   
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)
BDBM50029703
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair