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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50249687'   
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 1


(Homo sapiens (Human))
BDBM50249687
PNG
(2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-2-14(8-15)11-35-37-32(46)25-23-18-6-4-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-7-5-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer


J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)
BDBM50249687
PNG
(2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-2-14(8-15)11-35-37-32(46)25-23-18-6-4-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-7-5-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method


J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair