BDBM50086570 CHEMBL435191::Edotecarin::NB-506 Analogue

SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

InChI Key InChIKey=QMVPQBFHUJZJCS-NTKFZFFISA-N

Data  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50086570   

TargetDNA topoisomerase 1(Homo sapiens (Human))
Russian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50086570(CHEMBL435191 | Edotecarin | NB-506 Analogue)
Affinity DataEC50:  51nMAssay Description:Inhibition of topoisomerase-1 (unknown origin) using pBR 322 DNA as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed