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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098816'   
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))
BDBM50098816
PNG
(2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin-1-yl)...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H27N7O4/c1-12(2)16(17(31)19-27-28-21(33-19)22(3,4)5)26-15(30)11-29-18(13-7-6-8-24-9-13)25-10-14(23)20(29)32/h6-10,12,16H,11,23H2,1-5H3,(H,26,30)/t16-/m0/s1
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PC cid
PC sid
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Patents

PubMed
16.6n/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