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PubMed code 19254843

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50257522
PNG
(CHEMBL493342 | CHO793076)
Show SMILES CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)c1c23 |r|
Show InChI InChI=1S/C26H26N4O4/c1-3-5-6-10-29-14-27-18-8-7-9-19-21(18)23(29)15-12-30-20(22(15)28-19)11-17-16(24(30)31)13-34-25(32)26(17,33)4-2/h7-9,11,14,33H,3-6,10,12-13H2,1-2H3/t26-/m0/s1
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1


Bioorg Med Chem Lett 19: 2018-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.031
BindingDB Entry DOI: 10.7270/Q2RV0NM0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50092821
PNG
((R)-4-Ethyl-4-methyl-1,4a,12,13a-tetrahydro-4H-2-o...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccccc12
Show InChI InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
PDB

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antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1


Bioorg Med Chem Lett 19: 2018-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.031
BindingDB Entry DOI: 10.7270/Q2RV0NM0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%