new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098812'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50098812
PNG
(2-[2-(4-Fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C1(C)CC1
Show InChI InChI=1S/C23H24FN5O4/c1-13(2)18(19(32)21-27-28-22(33-21)23(3)9-10-23)26-16(30)12-29-17(31)8-11-25-20(29)14-4-6-15(24)7-5-14/h4-8,11,13,18H,9-10,12H2,1-3H3,(H,26,30)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
43.8n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate


J Med Chem 44: 1268-85 (2001)


BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair