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BDBM50033784 8-ethyl-8-hydroxy-9,12-dioxo-2,3,8,9,12,14-hexahydro-11H-[1,4]dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-15-carboxylic acid::CHEMBL422922

SMILES: CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C(O)=O)c3Cn1c2=O

InChI Key: InChIKey=PLIJIBZEBJNLOZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033784   
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))
BDBM50033784
PNG
(8-ethyl-8-hydroxy-9,12-dioxo-2,3,8,9,12,14-hexahyd...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C23H18N2O8/c1-2-23(30)13-6-15-19-11(8-25(15)20(26)12(13)9-33-22(23)29)18(21(27)28)10-5-16-17(7-14(10)24-19)32-4-3-31-16/h5-7,30H,2-4,8-9H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair