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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50031196   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50031196
PNG
(2-[3-Methyl-2-({1-[3-methyl-2-(4-chlorophenyl-sulf...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H41ClN6O10S/c1-20(2)30(32(46)35-41-27-19-23(37(50)54-5)10-17-29(27)55-35)42-34(48)28-7-6-18-45(28)36(49)31(21(3)4)43-33(47)22-8-13-25(14-9-22)40-38(51)44-56(52,53)26-15-11-24(39)12-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,42,48)(H,43,47)(H2,40,44,51)/t28-,30-,31-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
0.0600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair