BindingDB logo
myBDB logout

BDBM50468484 CHEMBL4288104

SMILES: COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1

InChI Key: InChIKey=JBJMLTGPFAGNJV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50468484   
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
Topoisomerase I/II


(Homo sapiens (Human))
BDBM50468484
PNG
(CHEMBL4288104)
Show SMILES COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1
Show InChI InChI=1S/C19H15N7O2S/c1-28-13-6-4-5-12(9-13)21-16(27)10-29-19-24-23-18-17-22-20-11-25(17)14-7-2-3-8-15(14)26(18)19/h2-9,11H,10H2,1H3,(H,21,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair