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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'dormann' and Initial = 'kl'   
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))
BDBM50375784
PNG
(CHEMBL408621)
Show SMILES CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1cc(O)c(O)c(O)c1 |w:8.11,3.10,TEB:10:8:1:4.5|
Show InChI InChI=1S/C19H24O5/c1-18(2)12-6-7-19(18,3)15(10-12)24-16(22)5-4-11-8-13(20)17(23)14(21)9-11/h4-5,8-9,12,15,20-21,23H,6-7,10H2,1-3H3/b5-4+/t12?,15?,19-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 2385-90 (2008)


Article DOI: 10.1016/j.bmc.2007.11.070
BindingDB Entry DOI: 10.7270/Q2CC11K7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50375785
PNG
(CHEMBL261166)
Show SMILES CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1ccc(O)c(O)c1 |w:8.11,3.10,TEB:10:8:1:4.5|
Show InChI InChI=1S/C19H24O4/c1-18(2)13-8-9-19(18,3)16(11-13)23-17(22)7-5-12-4-6-14(20)15(21)10-12/h4-7,10,13,16,20-21H,8-9,11H2,1-3H3/b7-5+/t13?,16?,19-/m1/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 2385-90 (2008)


Article DOI: 10.1016/j.bmc.2007.11.070
BindingDB Entry DOI: 10.7270/Q2CC11K7
More data for this
Ligand-Target Pair