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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50286307'   
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))
BDBM50286307
PNG
(2,6-Dichloro-4-(4-isopropyl-1,1,3-trioxo-1,3-dihyd...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCCN3CCOCC3)c(Cl)c1)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)17-4-3-5-20-21(17)23(29)28(36(20,31)32)14-35-16-12-18(25)22(19(26)13-16)24(30)34-11-8-27-6-9-33-10-7-27/h3-5,12-13,15H,6-11,14H2,1-2H3
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MMDB

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PC cid
PC sid
UniChem
Article
1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact


Bioorg Med Chem Lett 5: 319-324 (1995)


Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM
More data for this
Ligand-Target Pair