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BDBM50317556 CHEMBL1095349::Quinovic acid 28-O-beta-D-glucopyranosyl ester

SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=CLZXUPFAWZANJB-FEIPACMGNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317556   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50317556
PNG
(CHEMBL1095349 | Quinovic acid 28-O-beta-D-glucopyr...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H56O10/c1-18-9-14-35(31(44)46-29-28(41)27(40)26(39)21(17-37)45-29)15-16-36(30(42)43)20(25(35)19(18)2)7-8-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,36)6/h7,18-19,21-29,37-41H,8-17H2,1-6H3,(H,42,43)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/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
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50317556
PNG
(CHEMBL1095349 | Quinovic acid 28-O-beta-D-glucopyr...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H56O10/c1-18-9-14-35(31(44)46-29-28(41)27(40)26(39)21(17-37)45-29)15-16-36(30(42)43)20(25(35)19(18)2)7-8-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,36)6/h7,18-19,21-29,37-41H,8-17H2,1-6H3,(H,42,43)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/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