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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50249670   
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))
BDBM50249670
PNG
(6-[(3-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-10-19-26(39)27(40)28(41)31(45-19)46-35-18-8-14(38)2-4-16(18)21-23-22(29(42)34(30(23)43)32-9-12-5-6-44-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)35/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/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)
BDBM50249670
PNG
(6-[(3-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-10-19-26(39)27(40)28(41)31(45-19)46-35-18-8-14(38)2-4-16(18)21-23-22(29(42)34(30(23)43)32-9-12-5-6-44-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)35/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31+/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 470n/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