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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50009271   
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
Superoxide dismutase [Cu-Zn]


(Homo sapiens (Human))
BDBM50526704
PNG
(CHEMBL4469091)
Show SMILES Oc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2/c20-16-3-5-17(6-4-16)22-13-11-21(12-14-22)10-9-19(24)15-1-7-18(23)8-2-15/h1-8,23H,9-14H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CuZn-SOD


Bioorg Med Chem 27: 3902-3917 (2019)


Article DOI: 10.1016/j.bmc.2019.07.029
BindingDB Entry DOI: 10.7270/Q2XD154C
More data for this
Ligand-Target Pair
Superoxide dismutase [Cu-Zn]


(Homo sapiens (Human))
BDBM50526703
PNG
(CHEMBL4475359)
Show SMILES Oc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)16-3-5-17(6-4-16)25-13-11-24(12-14-25)10-9-19(27)15-1-7-18(26)8-2-15/h1-8,26H,9-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CuZn-SOD


Bioorg Med Chem 27: 3902-3917 (2019)


Article DOI: 10.1016/j.bmc.2019.07.029
BindingDB Entry DOI: 10.7270/Q2XD154C
More data for this
Ligand-Target Pair