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BDBM50033772 CHEMBL354432::ethyl 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-carboxylate

SMILES: CCOC(=O)c1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2cc3OCCOc3cc12

InChI Key: InChIKey=PSWVBLIRMZQLSV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033772   
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))
BDBM50033772
PNG
(CHEMBL354432 | ethyl 8-ethyl-8-hydroxy-9,12-dioxo-...)
Show SMILES CCOC(=O)c1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2cc3OCCOc3cc12
Show InChI InChI=1S/C25H22N2O8/c1-3-25(31)15-8-17-21-13(10-27(17)22(28)14(15)11-35-24(25)30)20(23(29)32-4-2)12-7-18-19(9-16(12)26-21)34-6-5-33-18/h7-9,31H,3-6,10-11H2,1-2H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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