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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 188.1
BDBM50569358

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50569358
PNG
(CHEMBL1989223)
Show SMILES COc1cccc2C(=O)C=CC(=O)c12 |c:9|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DNA topoisomerase 1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127976
BindingDB Entry DOI: 10.7270/Q2S75M49
More data for this
Ligand-Target Pair