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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098822'   
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))
BDBM50098822
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C25H23FN6O4/c1-14(2)20(21(34)24-31-30-23(36-24)16-6-4-3-5-7-16)29-19(33)13-32-22(28-12-18(27)25(32)35)15-8-10-17(26)11-9-15/h3-12,14,20H,13,27H2,1-2H3,(H,29,33)/t20-/m0/s1
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PC cid
PC sid
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Patents

PubMed
24.8n/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