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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Superoxide dismutase (SOD)' AND taxid = 9913   
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 (SOD)


(Bos taurus (Cattle))
BDBM241955
PNG
(Aβ (1-40) | DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIG...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C194H295N53O58S/c1-25-102(19)158(188(299)211-87-143(256)218-124(67-94(3)4)174(285)228-123(62-66-306-24)172(283)241-152(96(7)8)186(297)209-83-140(253)206-84-145(258)240-154(98(11)12)191(302)245-157(101(17)18)193(304)305)247-192(303)159(103(20)26-2)246-162(273)104(21)215-141(254)85-207-164(275)116(47-36-38-63-195)223-181(292)133(77-139(199)252)234-185(296)137(90-249)220-144(257)88-210-187(298)153(97(9)10)242-184(295)135(79-151(269)270)235-170(281)121(56-60-147(261)262)222-161(272)106(23)217-173(284)127(69-107-41-30-27-31-42-107)231-177(288)129(71-109-45-34-29-35-46-109)237-189(300)156(100(15)16)244-183(294)125(68-95(5)6)229-166(277)117(48-37-39-64-196)224-168(279)119(54-58-138(198)251)226-178(289)130(73-111-80-202-91-212-111)233-180(291)132(75-113-82-204-93-214-113)238-190(301)155(99(13)14)243-171(282)122(57-61-148(263)264)227-175(286)126(72-110-50-52-114(250)53-51-110)219-142(255)86-208-165(276)136(89-248)239-182(293)134(78-150(267)268)236-179(290)131(74-112-81-203-92-213-112)232-167(278)118(49-40-65-205-194(200)201)225-176(287)128(70-108-43-32-28-33-44-108)230-169(280)120(55-59-146(259)260)221-160(271)105(22)216-163(274)115(197)76-149(265)266/h27-35,41-46,50-53,80-82,91-106,115-137,152-159,248-250H,25-26,36-40,47-49,54-79,83-90,195-197H2,1-24H3,(H2,198,251)(H2,199,252)(H,202,212)(H,203,213)(H,204,214)(H,206,253)(H,207,275)(H,208,276)(H,209,297)(H,210,298)(H,211,299)(H,215,254)(H,216,274)(H,217,284)(H,218,256)(H,219,255)(H,220,257)(H,221,271)(H,222,272)(H,223,292)(H,224,279)(H,225,287)(H,226,289)(H,227,286)(H,228,285)(H,229,277)(H,230,280)(H,231,288)(H,232,278)(H,233,291)(H,234,296)(H,235,281)(H,236,290)(H,237,300)(H,238,301)(H,239,293)(H,240,258)(H,241,283)(H,242,295)(H,243,282)(H,244,294)(H,245,302)(H,246,273)(H,247,303)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,304,305)(H4,200,201,205)/t102-,103-,104-,105-,106-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.17E+4n/an/an/an/an/an/an/an/a



Rhodes University



Assay Description
Purified SOD from bovine brain (20 μl) was incubated (37C, 60 min) with Aβ25-37, Aβ29-33 or Aβ1-40 (20 μl, 5 μM) follo...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair
Superoxide dismutase (SOD)


(Bos taurus (Cattle))
BDBM241954
PNG
(Aβ (29-33) | GAIIG)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(O)=O
Show InChI InChI=1S/C19H35N5O6/c1-6-10(3)15(18(29)21-9-14(26)27)24-19(30)16(11(4)7-2)23-17(28)12(5)22-13(25)8-20/h10-12,15-16H,6-9,20H2,1-5H3,(H,21,29)(H,22,25)(H,23,28)(H,24,30)(H,26,27)/t10-,11-,12-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.32E+4n/an/an/an/an/an/an/an/a



Rhodes University



Assay Description
Purified SOD from bovine brain (20 μl) was incubated (37C, 60 min) with Aβ25-37, Aβ29-33 or Aβ1-40 (20 μl, 5 μM) follo...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair
Superoxide dismutase (SOD)


(Bos taurus (Cattle))
BDBM241953
PNG
(Aβ (25-37) | GSNKGAIIGLMVG)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C52H93N15O16S/c1-11-28(7)42(51(82)57-23-39(72)60-33(19-26(3)4)47(78)63-32(16-18-84-10)46(77)65-41(27(5)6)50(81)58-24-40(73)74)67-52(83)43(29(8)12-2)66-44(75)30(9)59-38(71)22-56-45(76)31(15-13-14-17-53)62-48(79)34(20-36(55)69)64-49(80)35(25-68)61-37(70)21-54/h26-35,41-43,68H,11-25,53-54H2,1-10H3,(H2,55,69)(H,56,76)(H,57,82)(H,58,81)(H,59,71)(H,60,72)(H,61,70)(H,62,79)(H,63,78)(H,64,80)(H,65,77)(H,66,75)(H,67,83)(H,73,74)/t28-,29-,30-,31-,32-,33-,34-,35-,41-,42-,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Rhodes University



Assay Description
Purified SOD from bovine brain (20 μl) was incubated (37C, 60 min) with Aβ25-37, Aβ29-33 or Aβ1-40 (20 μl, 5 μM) follo...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair
Superoxide dismutase (SOD)


(Bos taurus (Cattle))
BDBM241954
PNG
(Aβ (29-33) | GAIIG)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(O)=O
Show InChI InChI=1S/C19H35N5O6/c1-6-10(3)15(18(29)21-9-14(26)27)24-19(30)16(11(4)7-2)23-17(28)12(5)22-13(25)8-20/h10-12,15-16H,6-9,20H2,1-5H3,(H,21,29)(H,22,25)(H,23,28)(H,24,30)(H,26,27)/t10-,11-,12-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.57E+4n/an/an/an/an/a



Rhodes University



Assay Description
SOD activity of the purified samples was determined by the SOD assay kit using (2-(4-iodophenyl)-3-(4nitrophenyl)-5-(2,4-disulphenyl)-2H-tetrazolium,...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair
Superoxide dismutase (SOD)


(Bos taurus (Cattle))
BDBM241953
PNG
(Aβ (25-37) | GSNKGAIIGLMVG)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C52H93N15O16S/c1-11-28(7)42(51(82)57-23-39(72)60-33(19-26(3)4)47(78)63-32(16-18-84-10)46(77)65-41(27(5)6)50(81)58-24-40(73)74)67-52(83)43(29(8)12-2)66-44(75)30(9)59-38(71)22-56-45(76)31(15-13-14-17-53)62-48(79)34(20-36(55)69)64-49(80)35(25-68)61-37(70)21-54/h26-35,41-43,68H,11-25,53-54H2,1-10H3,(H2,55,69)(H,56,76)(H,57,82)(H,58,81)(H,59,71)(H,60,72)(H,61,70)(H,62,79)(H,63,78)(H,64,80)(H,65,77)(H,66,75)(H,67,83)(H,73,74)/t28-,29-,30-,31-,32-,33-,34-,35-,41-,42-,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.38E+3n/an/an/an/an/a



Rhodes University



Assay Description
SOD activity of the purified samples was determined by the SOD assay kit using (2-(4-iodophenyl)-3-(4nitrophenyl)-5-(2,4-disulphenyl)-2H-tetrazolium,...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair
Superoxide dismutase (SOD)


(Bos taurus (Cattle))
BDBM241955
PNG
(Aβ (1-40) | DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIG...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C194H295N53O58S/c1-25-102(19)158(188(299)211-87-143(256)218-124(67-94(3)4)174(285)228-123(62-66-306-24)172(283)241-152(96(7)8)186(297)209-83-140(253)206-84-145(258)240-154(98(11)12)191(302)245-157(101(17)18)193(304)305)247-192(303)159(103(20)26-2)246-162(273)104(21)215-141(254)85-207-164(275)116(47-36-38-63-195)223-181(292)133(77-139(199)252)234-185(296)137(90-249)220-144(257)88-210-187(298)153(97(9)10)242-184(295)135(79-151(269)270)235-170(281)121(56-60-147(261)262)222-161(272)106(23)217-173(284)127(69-107-41-30-27-31-42-107)231-177(288)129(71-109-45-34-29-35-46-109)237-189(300)156(100(15)16)244-183(294)125(68-95(5)6)229-166(277)117(48-37-39-64-196)224-168(279)119(54-58-138(198)251)226-178(289)130(73-111-80-202-91-212-111)233-180(291)132(75-113-82-204-93-214-113)238-190(301)155(99(13)14)243-171(282)122(57-61-148(263)264)227-175(286)126(72-110-50-52-114(250)53-51-110)219-142(255)86-208-165(276)136(89-248)239-182(293)134(78-150(267)268)236-179(290)131(74-112-81-203-92-213-112)232-167(278)118(49-40-65-205-194(200)201)225-176(287)128(70-108-43-32-28-33-44-108)230-169(280)120(55-59-146(259)260)221-160(271)105(22)216-163(274)115(197)76-149(265)266/h27-35,41-46,50-53,80-82,91-106,115-137,152-159,248-250H,25-26,36-40,47-49,54-79,83-90,195-197H2,1-24H3,(H2,198,251)(H2,199,252)(H,202,212)(H,203,213)(H,204,214)(H,206,253)(H,207,275)(H,208,276)(H,209,297)(H,210,298)(H,211,299)(H,215,254)(H,216,274)(H,217,284)(H,218,256)(H,219,255)(H,220,257)(H,221,271)(H,222,272)(H,223,292)(H,224,279)(H,225,287)(H,226,289)(H,227,286)(H,228,285)(H,229,277)(H,230,280)(H,231,288)(H,232,278)(H,233,291)(H,234,296)(H,235,281)(H,236,290)(H,237,300)(H,238,301)(H,239,293)(H,240,258)(H,241,283)(H,242,295)(H,243,282)(H,244,294)(H,245,302)(H,246,273)(H,247,303)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,304,305)(H4,200,201,205)/t102-,103-,104-,105-,106-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.21E+4n/an/an/an/an/a



Rhodes University



Assay Description
SOD activity of the purified samples was determined by the SOD assay kit using (2-(4-iodophenyl)-3-(4nitrophenyl)-5-(2,4-disulphenyl)-2H-tetrazolium,...


J Enzyme Inhib Med Chem 28: 727-33 (2013)


Article DOI: 10.3109/14756366.2012.680063
BindingDB Entry DOI: 10.7270/Q2JM28KG
More data for this
Ligand-Target Pair