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SMILES: CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCCCC)c2C(=O)OC(C)(C)Oc2c1

InChI Key: InChIKey=KKAMSMYWKJCMTP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50496613   
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 2-alpha


(Homo sapiens (Human))
BDBM50496613
PNG
(CHEMBL3134404)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCCCC)c2C(=O)OC(C)(C)Oc2c1
Show InChI InChI=1S/C27H34O7/c1-5-7-9-11-17-13-19(28)15-21(29)23(17)25(30)32-20-14-18(12-10-8-6-2)24-22(16-20)33-27(3,4)34-26(24)31/h13-16,28-29H,5-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)


Article DOI: 10.1039/c3md00238a
BindingDB Entry DOI: 10.7270/Q23F4SM4
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Yersinia pestis)
BDBM50496613
PNG
(CHEMBL3134404)
Show SMILES CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCCCC)c2C(=O)OC(C)(C)Oc2c1
Show InChI InChI=1S/C27H34O7/c1-5-7-9-11-17-13-19(28)15-21(29)23(17)25(30)32-20-14-18(12-10-8-6-2)24-22(16-20)33-27(3,4)34-26(24)31/h13-16,28-29H,5-12H2,1-4H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis


Medchemcomm 4: (2013)


Article DOI: 10.1039/c3md00238a
BindingDB Entry DOI: 10.7270/Q23F4SM4
More data for this
Ligand-Target Pair