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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Superoxide dismutase' 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
Superoxide dismutase


(Homo sapiens)
BDBM50039027
PNG
(CHEMBL3355357)
Show SMILES CC(C)c1cc2C(=O)[C@H](O)[C@H]3[C@](C)(CO)CCC[C@]3(C)c2cc1O
Show InChI InChI=1/C20H28O4/c1-11(2)12-8-13-14(9-15(12)22)20(4)7-5-6-19(3,10-21)18(20)17(24)16(13)23/h8-9,11,17-18,21-22,24H,5-7,10H2,1-4H3/t17-,18-,19-,20+/s2
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n/an/a 5.66E+4n/an/an/an/an/an/a



University of Granada

Curated by ChEMBL


Assay Description
Inhibition of CuZn-SOD in human erythrocytes


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50039031
PNG
(CHEMBL3355358)
Show SMILES COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCc1cc(O)ccc21
Show InChI InChI=1/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h6-7,11,15,19H,4-5,8-10H2,1-3H3/t15-,17-,18-/s2
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n/an/a 5.89E+4n/an/an/an/an/an/a



University of Granada

Curated by ChEMBL


Assay Description
Inhibition of CuZn-SOD in human erythrocytes


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50398954
PNG
(CHEMBL2179265)
Show SMILES C(CNc1nnc(NCCCn2ccnc2)c2ccccc12)Cn1ccnc1
Show InChI InChI=1S/C20H24N8/c1-2-6-18-17(5-1)19(23-7-3-11-27-13-9-21-15-27)25-26-20(18)24-8-4-12-28-14-10-22-16-28/h1-2,5-6,9-10,13-16H,3-4,7-8,11-12H2,(H,23,25)(H,24,26)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of SOD1 in human erythrocytes by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336560
PNG
(1,4-bis[3-(imidazol-1-yl)propylamino]benzo[g]phtha...)
Show SMILES C(CNc1nnc(NCCCn2ccnc2)c2cc3ccccc3cc12)Cn1ccnc1
Show InChI InChI=1S/C24H26N8/c1-2-6-20-16-22-21(15-19(20)5-1)23(27-7-3-11-31-13-9-25-17-31)29-30-24(22)28-8-4-12-32-14-10-26-18-32/h1-2,5-6,9-10,13-18H,3-4,7-8,11-12H2,(H,27,29)(H,28,30)
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n/an/a 6.79E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50398955
PNG
(CHEMBL2179268)
Show SMILES Clc1nnc(NCCc2cnc[nH]2)c2ccccc12
Show InChI InChI=1S/C13H12ClN5/c14-12-10-3-1-2-4-11(10)13(19-18-12)16-6-5-9-7-15-8-17-9/h1-4,7-8H,5-6H2,(H,15,17)(H,16,19)
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n/an/a 7.15E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of SOD1 in human erythrocytes by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50398953
PNG
(CHEMBL2179266)
Show SMILES Clc1nnc(NCCCn2ccnc2)c2ccccc12
Show InChI InChI=1S/C14H14ClN5/c15-13-11-4-1-2-5-12(11)14(19-18-13)17-6-3-8-20-9-7-16-10-20/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,19)
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n/an/a 8.31E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of SOD1 in human erythrocytes by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336562
PNG
(1,4-Bis(3'-pyrazolylamino)benzo[g]phthalazine | CH...)
Show SMILES N(c1ccn[nH]1)c1nnc(Nc2ccn[nH]2)c2cc3ccccc3cc12
Show InChI InChI=1S/C18H14N8/c1-2-4-12-10-14-13(9-11(12)3-1)17(21-15-5-7-19-23-15)25-26-18(14)22-16-6-8-20-24-16/h1-10H,(H2,19,21,23,25)(H2,20,22,24,26)
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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 Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336563
PNG
(4-Chloro-1-(3'-pyrazolylamino)benzo[g]phthalazine ...)
Show SMILES Clc1nnc(Nc2ccn[nH]2)c2cc3ccccc3cc12
Show InChI InChI=1S/C15H10ClN5/c16-14-11-7-9-3-1-2-4-10(9)8-12(11)15(21-20-14)18-13-5-6-17-19-13/h1-8H,(H2,17,18,19,21)
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n/an/a 1.03E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50398956
PNG
(CHEMBL2179267)
Show SMILES C(Cc1cnc[nH]1)Nc1nnc(NCCc2cnc[nH]2)c2ccccc12
Show InChI InChI=1S/C18H20N8/c1-2-4-16-15(3-1)17(21-7-5-13-9-19-11-23-13)25-26-18(16)22-8-6-14-10-20-12-24-14/h1-4,9-12H,5-8H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of SOD1 in human erythrocytes by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336561
PNG
(1-[3-(imidazol-1-yl)propylamino]-4-chlorobenzo[g]p...)
Show SMILES Clc1nnc(NCCCn2ccnc2)c2cc3ccccc3cc12
Show InChI InChI=1S/C18H16ClN5/c19-17-15-10-13-4-1-2-5-14(13)11-16(15)18(23-22-17)21-6-3-8-24-9-7-20-12-24/h1-2,4-5,7,9-12H,3,6,8H2,(H,21,23)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430018
PNG
(CHEMBL2335501)
Show SMILES C(CN1CCNCc2cccc(CNCC1)n2)NCc1ccccn1
Show InChI InChI=1S/C19H28N6/c1-2-7-23-17(4-1)14-20-8-11-25-12-9-21-15-18-5-3-6-19(24-18)16-22-10-13-25/h1-7,20-22H,8-16H2
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n/an/a 1.79E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430018
PNG
(CHEMBL2335501)
Show SMILES C(CN1CCNCc2cccc(CNCC1)n2)NCc1ccccn1
Show InChI InChI=1S/C19H28N6/c1-2-7-23-17(4-1)14-20-8-11-25-12-9-21-15-18-5-3-6-19(24-18)16-22-10-13-25/h1-7,20-22H,8-16H2
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n/an/a 1.79E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CuZn-SOD assessed as reduction of nitrobluetetrazolium measured for 10 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336558
PNG
(1,4-bis[2-(imidazol-4-yl)ethylamino]benzo[g]phthal...)
Show SMILES C(Cc1cnc[nH]1)Nc1nnc(NCCc2cnc[nH]2)c2cc3ccccc3cc12
Show InChI InChI=1S/C22H22N8/c1-2-4-16-10-20-19(9-15(16)3-1)21(25-7-5-17-11-23-13-27-17)29-30-22(20)26-8-6-18-12-24-14-28-18/h1-4,9-14H,5-8H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
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n/an/a 3.66E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430020
PNG
(CHEMBL2335499)
Show SMILES NCCN1CCNCc2cccc(CNCC1)n2
Show InChI InChI=1S/C13H23N5/c14-4-7-18-8-5-15-10-12-2-1-3-13(17-12)11-16-6-9-18/h1-3,15-16H,4-11,14H2
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n/an/a 3.81E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430020
PNG
(CHEMBL2335499)
Show SMILES NCCN1CCNCc2cccc(CNCC1)n2
Show InChI InChI=1S/C13H23N5/c14-4-7-18-8-5-15-10-12-2-1-3-13(17-12)11-16-6-9-18/h1-3,15-16H,4-11,14H2
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n/an/a 3.81E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CuZn-SOD assessed as reduction of nitrobluetetrazolium measured for 10 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430019
PNG
(CHEMBL2335500)
Show SMILES C(CN1CCNCc2cccc(CNCC1)n2)NCc1cccc2ccccc12
Show InChI InChI=1S/C24H31N5/c1-2-10-24-20(5-1)6-3-7-21(24)17-25-11-14-29-15-12-26-18-22-8-4-9-23(28-22)19-27-13-16-29/h1-10,25-27H,11-19H2
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n/an/a 4.08E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430017
PNG
(CHEMBL2335502)
Show SMILES C(CN1CCNCc2cccc(CNCC1)n2)NCc1cccnc1
Show InChI InChI=1S/C19H28N6/c1-4-18-15-22-8-11-25(12-9-23-16-19(5-1)24-18)10-7-21-14-17-3-2-6-20-13-17/h1-6,13,21-23H,7-12,14-16H2
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n/an/a 6.41E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte CuZn-SOD assessed as reduction of nitrobluetetrazolium measured for 10 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50430017
PNG
(CHEMBL2335502)
Show SMILES C(CN1CCNCc2cccc(CNCC1)n2)NCc1cccnc1
Show InChI InChI=1S/C19H28N6/c1-4-18-15-22-8-11-25(12-9-23-16-19(5-1)24-18)10-7-21-14-17-3-2-6-20-13-17/h1-6,13,21-23H,7-12,14-16H2
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n/an/a 6.41E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Superoxide dismutase


(Homo sapiens)
BDBM50336559
PNG
(1-[2-(imidazol-4-yl)ethylamino]-4-chlorobenzo[g]ph...)
Show SMILES Clc1nnc(NCCc2cnc[nH]2)c2cc3ccccc3cc12
Show InChI InChI=1S/C17H14ClN5/c18-16-14-7-11-3-1-2-4-12(11)8-15(14)17(23-22-16)20-6-5-13-9-19-10-21-13/h1-4,7-10H,5-6H2,(H,19,21)(H,20,23)
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n/an/a 7.87E+5n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction


Citation and Details
More data for this
Ligand-Target Pair