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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50061026'   
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))
BDBM50061026
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24+,25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair