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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Fumarate reductase' AND taxid = 6253   
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
Fumarate reductase


(Ascaris suum)
BDBM50198747
PNG
(CHEMBL3903155)
Show SMILES C[C@@H]1[C@@H]2OC(=O)[C@](C)(C1=O)[C@]2(C)\C=C(/C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@H](C)[C@](C)(O)C=C1C
Show InChI InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23-,25-,27+,28+,29-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198745
PNG
(CHEMBL3931142)
Show SMILES C[C@@H]1[C@@H]2OC(=O)[C@](C)(C1=O)[C@]2(C)\C=C(/C)\C=C\C=C\C=C\C=C(/C)[C@H]1O[C@H](C)[C@](C)(O)C=C1C
Show InChI InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23+,25-,27+,28+,29-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198749
PNG
(PYRVINIUM PAMOATE | Poquil | Povan | Pyrvinium Emb...)
Show SMILES CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1.CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C([O-])=O)C([O-])=O
Show InChI InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198746
PNG
(CHEMBL3921174)
Show SMILES CO[C@@]1(C)C=C(C)[C@@H](O[C@H]1C)C(\C)=C\C=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C
Show InChI InChI=1S/C27H36O5/c1-17(21-18(2)16-26(6,30-8)20(4)31-21)14-12-10-9-11-13-15-25(5)23-19(3)22(28)27(25,7)24(29)32-23/h9-16,19-21,23H,1-8H3/b11-9+,12-10+,15-13+,17-14+/t19-,20-,21-,23-,25+,26-,27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198748
PNG
(CHEMBL3894201)
Show SMILES C[C@@H]1[C@@H]2OC(=O)[C@](C)(C1=O)[C@]2(C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@@H](C)C(=C)C=C1C
Show InChI InChI=1S/C26H32O4/c1-16(21-18(3)15-17(2)20(5)29-21)13-11-9-8-10-12-14-25(6)23-19(4)22(27)26(25,7)24(28)30-23/h8-15,19-21,23H,2H2,1,3-7H3/b10-8+,11-9+,14-12+,16-13+/t19-,20-,21-,23-,25+,26-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198750
PNG
(CHEMBL3931781)
Show SMILES C[C@@H]1[C@@H]2OC(=O)[C@](C)(C1=O)[C@]2(C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@@H](C)C(C)=C[C@]1(C)O
Show InChI InChI=1S/C26H34O5/c1-16(21-25(6,29)15-17(2)19(4)30-21)13-11-9-8-10-12-14-24(5)22-18(3)20(27)26(24,7)23(28)31-22/h8-15,18-19,21-22,29H,1-7H3/b10-8+,11-9+,14-12+,16-13+/t18-,19-,21-,22-,24+,25-,26-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair
Fumarate reductase


(Ascaris suum)
BDBM50198744
PNG
(CHEMBL3922227)
Show SMILES CO[C@]1(C)C=C(C)[C@@H](O[C@H]1C)C(\C)=C\C=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C
Show InChI InChI=1S/C27H36O5/c1-17(21-18(2)16-26(6,30-8)20(4)31-21)14-12-10-9-11-13-15-25(5)23-19(3)22(28)27(25,7)24(29)32-23/h9-16,19-21,23H,1-8H3/b11-9+,12-10+,15-13+,17-14+/t19-,20-,21-,23-,25+,26+,27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH aft...


Bioorg Med Chem Lett 26: 5328-5333 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.032
BindingDB Entry DOI: 10.7270/Q2BV7JK7
More data for this
Ligand-Target Pair