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Compile Data Set for Download or QSAR

Found 2 hits of affinity data for UniProtKB/TrEMBL: Q2HPH0   
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
Topoisomerase I


(Bos taurus)
BDBM50450081
PNG
(CHEMBL4159820)
Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H22ClN3O2/c1-34-22-13-9-19(10-14-22)27-28-24(23-4-2-3-5-25(23)32-28)16-21(31-27)17-30-26(33)15-8-18-6-11-20(29)12-7-18/h2-16,32H,17H2,1H3,(H,30,33)/b15-8+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method


Bioorg Med Chem 26: 4916-4929 (2018)


Article DOI: 10.1016/j.bmc.2018.08.031
BindingDB Entry DOI: 10.7270/Q2FJ2KBF
More data for this
Ligand-Target Pair
Topoisomerase I


(Bos taurus)
BDBM50450080
PNG
(CHEMBL4176420)
Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2cccc(O)c2)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H23N3O3/c1-34-22-12-10-19(11-13-22)27-28-24(23-7-2-3-8-25(23)31-28)16-20(30-27)17-29-26(33)14-9-18-5-4-6-21(32)15-18/h2-16,31-32H,17H2,1H3,(H,29,33)/b14-9+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method


Bioorg Med Chem 26: 4916-4929 (2018)


Article DOI: 10.1016/j.bmc.2018.08.031
BindingDB Entry DOI: 10.7270/Q2FJ2KBF
More data for this
Ligand-Target Pair