Found 2 hits in this display 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 |
|---|
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50317512
(Aesculioside IIIc | CHEMBL1095341)Show SMILES CCC(C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C\C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO |r,t:21| Show InChI InChI=1S/C57H90O23/c1-12-24(3)47(71)79-44-45(80-48(72)25(4)13-2)57(23-60)27(20-52(44,5)6)26-14-15-31-54(9)18-17-32(53(7,8)30(54)16-19-55(31,10)56(26,11)42(67)43(57)68)75-51-41(78-50-37(65)35(63)33(61)28(21-58)73-50)39(38(66)40(77-51)46(69)70)76-49-36(64)34(62)29(22-59)74-49/h12,14,25,27-45,49-51,58-68H,13,15-23H2,1-11H3,(H,69,70)/b24-12+/t25?,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44-,45-,49-,50-,51+,54-,55+,56-,57-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Stephen F. Austin State University
Curated by ChEMBL
| Assay Description
Inhibition of human DNA topoisomerase 1-mediated relaxation of supercoiled DNA by gel electrophoresis |
Bioorg Med Chem Lett 20: 2790-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.063
BindingDB Entry DOI: 10.7270/Q2J67HW5 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50317512
(Aesculioside IIIc | CHEMBL1095341)Show SMILES CCC(C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C\C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO |r,t:21| Show InChI InChI=1S/C57H90O23/c1-12-24(3)47(71)79-44-45(80-48(72)25(4)13-2)57(23-60)27(20-52(44,5)6)26-14-15-31-54(9)18-17-32(53(7,8)30(54)16-19-55(31,10)56(26,11)42(67)43(57)68)75-51-41(78-50-37(65)35(63)33(61)28(21-58)73-50)39(38(66)40(77-51)46(69)70)76-49-36(64)34(62)29(22-59)74-49/h12,14,25,27-45,49-51,58-68H,13,15-23H2,1-11H3,(H,69,70)/b24-12+/t25?,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44-,45-,49-,50-,51+,54-,55+,56-,57-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Stephen F. Austin State University
Curated by ChEMBL
| Assay Description
Inhibition of human DNA topoisomerase 2-mediated relaxation of supercoiled DNA by gel electrophoresis |
Bioorg Med Chem Lett 20: 2790-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.063
BindingDB Entry DOI: 10.7270/Q2J67HW5 |
More data for this
Ligand-Target Pair | |