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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Extracellular superoxide dismutase [Cu-Zn]' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Extracellular superoxide dismutase [Cu-Zn]


(Homo sapiens)
BDBM50389793
PNG
(CHEMBL2070385)
Show SMILES CCCCCCCCN1CCNCc2cc(CNCCN(CCCCCCCC)CCNCc3cc(CNCC1)n[nH]3)[nH]n2
Show InChI InChI=1S/C34H66N10/c1-3-5-7-9-11-13-19-43-21-15-35-27-31-25-33(41-39-31)29-37-17-23-44(20-14-12-10-8-6-4-2)24-18-38-30-34-26-32(40-42-34)28-36-16-22-43/h25-26,35-38H,3-24,27-30H2,1-2H3,(H,39,41)(H,40,42)
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n/an/a 8.92E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Cu-Zn SOD by NBT reduction assay


J Med Chem 55: 4231-43 (2012)

More data for this
Ligand-Target Pair
Extracellular superoxide dismutase [Cu-Zn]


(Homo sapiens)
BDBM50389791
PNG
(CHEMBL2070383)
Show SMILES Cn1nc2CNCCNCCNCc3cc(CNCCNCCNCc1c2)nn3C
Show InChI InChI=1S/C20H38N10/c1-29-19-11-17(27-29)13-23-7-3-22-6-10-26-16-20-12-18(28-30(20)2)14-24-8-4-21-5-9-25-15-19/h11-12,21-26H,3-10,13-16H2,1-2H3
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n/an/a 9.66E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Cu-Zn SOD by NBT reduction assay


J Med Chem 55: 4231-43 (2012)

More data for this
Ligand-Target Pair
Extracellular superoxide dismutase [Cu-Zn]


(Homo sapiens)
BDBM50389792
PNG
(CHEMBL2070384)
Show SMILES C(c1ccccc1)n1nc2CNCCNCCNCc3cc(CNCCNCCNCc1c2)nn3Cc1ccccc1
Show InChI InChI=1S/C32H46N10/c1-3-7-27(8-4-1)25-41-31-19-29(39-41)21-35-15-11-34-14-18-38-24-32-20-30(22-36-16-12-33-13-17-37-23-31)40-42(32)26-28-9-5-2-6-10-28/h1-10,19-20,33-38H,11-18,21-26H2
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n/an/a 1.55E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Cu-Zn SOD by NBT reduction assay


J Med Chem 55: 4231-43 (2012)

More data for this
Ligand-Target Pair
Extracellular superoxide dismutase [Cu-Zn]


(Homo sapiens)
BDBM50389790
PNG
(CHEMBL2070382)
Show SMILES C1CN2CCNCc3cc(CNCCN(CCNCc4cc(CN1)n[nH]4)CCNCc1cc(CNCC2)n[nH]1)[nH]n3
Show InChI InChI=1S/C27H48N14/c1-7-40-8-2-29-18-24-14-26(38-36-24)20-32-5-11-41(10-4-31-17-23-13-22(16-28-1)34-35-23)12-6-33-21-27-15-25(37-39-27)19-30-3-9-40/h13-15,28-33H,1-12,16-21H2,(H,34,35)(H,36,38)(H,37,39)
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n/an/a 2.74E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Cu-Zn SOD by NBT reduction assay


J Med Chem 55: 4231-43 (2012)

More data for this
Ligand-Target Pair