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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50516762   
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))
BDBM50516762
PNG
(CHEMBL4474485)
Show SMILES OB1N(Cc2ccccc2)N=Cc2ccsc12 |c:11|
Show InChI InChI=1S/C12H11BN2OS/c16-13-12-11(6-7-17-12)8-14-15(13)9-10-4-2-1-3-5-10/h1-8,16H,9H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



S£o Paulo State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil Elastase


Eur J Med Chem 179: 791-804 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.092
BindingDB Entry DOI: 10.7270/Q28055ZM
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50516762
PNG
(CHEMBL4474485)
Show SMILES OB1N(Cc2ccccc2)N=Cc2ccsc12 |c:11|
Show InChI InChI=1S/C12H11BN2OS/c16-13-12-11(6-7-17-12)8-14-15(13)9-10-4-2-1-3-5-10/h1-8,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50516762
PNG
(CHEMBL4474485)
Show SMILES OB1N(Cc2ccccc2)N=Cc2ccsc12 |c:11|
Show InChI InChI=1S/C12H11BN2OS/c16-13-12-11(6-7-17-12)8-14-15(13)9-10-4-2-1-3-5-10/h1-8,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116748
BindingDB Entry DOI: 10.7270/Q2MG7TGW
More data for this
Ligand-Target Pair