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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50034677'   
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))
BDBM50034677
PNG
(CHEMBL288810 | Phosphoric acid diethyl ester 4-iso...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O
Show InChI InChI=1S/C15H22NO7PS/c1-5-21-24(18,22-6-2)23-10-16-15(17)14-12(11(3)4)8-7-9-13(14)25(16,19)20/h7-9,11H,5-6,10H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Human leukocyte elastase


J Med Chem 38: 1571-4 (1995)


BindingDB Entry DOI: 10.7270/Q2M32TS7
More data for this
Ligand-Target Pair