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SMILES: [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(NCC#N)C2OC(C)OCC2O1

InChI Key: InChIKey=RGGFKNHPJQNNLE-GKYGASGCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50471915   
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/2-beta


(Homo sapiens (Human))		BDBM50471915
PNG
(CHEMBL434650)
Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(NCC#N)C2OC(C)OCC2O1
Show InChI InChI=1S/C31H34N2O11/c1-14-38-12-24-30(42-14)19(33-5-4-32)10-25(43-24)44-29-17-9-21-20(40-13-41-21)8-16(17)26(27-18(29)11-39-31(27)35)15-6-22(36-2)28(34)23(7-15)37-3/h6-9,14,18-19,24-27,29-30,33-34H,5,10-13H2,1-3H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II

J Med Chem 41: 4475-85 (1998)


Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB
More data for this
Ligand-Target Pair