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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50060369   
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))
BDBM50060369
PNG
(3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5|
Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.07E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50060369
PNG
(3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5|
Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+6n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase


J Med Chem 40: 3423-33 (1997)


Article DOI: 10.1021/jm970351x
BindingDB Entry DOI: 10.7270/Q22R3QRH
More data for this
Ligand-Target Pair