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SMILES: OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=PSYLHWYQVQZJNK-NLOMZQFXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249673   
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 1


(Homo sapiens (Human))
BDBM50249673
PNG
(2,10-Dihydroxy-6-[(pyridin-3-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-9-15(40)4-6-17(19)22-24-23(21-16-5-3-14(39)8-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-2-1-7-33-10-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 23n/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)
BDBM50249673
PNG
(2,10-Dihydroxy-6-[(pyridin-3-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-9-15(40)4-6-17(19)22-24-23(21-16-5-3-14(39)8-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-2-1-7-33-10-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/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>1.00E+4n/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