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SMILES: COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2cccc(O)c2)cc2c3ccccc3[nH]c12

InChI Key: InChIKey=AYHPBHOMWOJVIC-NTEUORMPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50450080   
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
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+
UniProtKB/TrEMBL

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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