Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50474573' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Thioredoxin reductase 3
(Homo sapiens (Human)) | BDBM50474573
(CHEMBL385299)Show SMILES [H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2]c6ccc(-[#8]-[#6])cc6)[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8] Show InChI InChI=1S/C49H76O35Te/c1-70-13-2-4-14(5-3-13)85-12-21-42-28(62)35(69)49(77-21)83-41-20(11-55)75-47(33(67)26(41)60)81-39-18(9-53)73-45(31(65)24(39)58)79-37-16(7-51)71-43(29(63)22(37)56)78-36-15(6-50)72-44(30(64)23(36)57)80-38-17(8-52)74-46(32(66)25(38)59)82-40-19(10-54)76-48(84-42)34(68)27(40)61/h2-5,15-69H,6-12H2,1H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37-,38-,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of thioredoxin reductase |
J Med Chem 47: 233-9 (2004)
Article DOI: 10.1021/jm030916r BindingDB Entry DOI: 10.7270/Q2542RBW |
More data for this Ligand-Target Pair | |
Thioredoxin reductase 3
(Homo sapiens (Human)) | BDBM50474573
(CHEMBL385299)Show SMILES [H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2]c6ccc(-[#8]-[#6])cc6)[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8] Show InChI InChI=1S/C49H76O35Te/c1-70-13-2-4-14(5-3-13)85-12-21-42-28(62)35(69)49(77-21)83-41-20(11-55)75-47(33(67)26(41)60)81-39-18(9-53)73-45(31(65)24(39)58)79-37-16(7-51)71-43(29(63)22(37)56)78-36-15(6-50)72-44(30(64)23(36)57)80-38-17(8-52)74-46(32(66)25(38)59)82-40-19(10-54)76-48(84-42)34(68)27(40)61/h2-5,15-69H,6-12H2,1H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37-,38-,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of thioredoxin reductase in the presence of thioredoxinand insulin |
J Med Chem 47: 233-9 (2004)
Article DOI: 10.1021/jm030916r BindingDB Entry DOI: 10.7270/Q2542RBW |
More data for this Ligand-Target Pair | |