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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase I' and Monomerid = 50086559   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50086559
PNG
(CHEMBL135970 | NB-506 Analogue)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C28H26N4O10/c33-7-10(8-34)30-32-26(40)20-18-13-3-1-11(36)5-15(13)29-22(18)23-19(21(20)27(32)41)14-4-2-12(37)6-16(14)31(23)28-25(39)24(38)17(9-35)42-28/h1-6,10,17,24-25,28-30,33-39H,7-9H2/t17-,24-,25-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50086559
PNG
(CHEMBL135970 | NB-506 Analogue)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C28H26N4O10/c33-7-10(8-34)30-32-26(40)20-18-13-3-1-11(36)5-15(13)29-22(18)23-19(21(20)27(32)41)14-4-2-12(37)6-16(14)31(23)28-25(39)24(38)17(9-35)42-28/h1-6,10,17,24-25,28-30,33-39H,7-9H2/t17-,24-,25-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory effect on topoisomerase-I mediated DNA cleavage using supercoiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair