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SMILES: COc1ccccc1\C=C1/Oc2c(C1=O)c1OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c1c(O)c2C

InChI Key: InChIKey=CQPNCOSPSWYHTO-IXTHLRQQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463374   
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
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50463374
PNG
(CHEMBL3356738)
Show SMILES COc1ccccc1\C=C1/Oc2c(C1=O)c1OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c1c(O)c2C |r,t:19,22|
Show InChI InChI=1S/C26H20O8/c1-11-21(29)20-24(34-17-10-14(28)18(12(2)27)25(31)26(17,20)3)19-22(30)16(33-23(11)19)9-13-7-5-6-8-15(13)32-4/h5-10,28-29H,1-4H3/b16-9-/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...

Bioorg Med Chem 26: 4470-4480 (2018)


Article DOI: 10.1016/j.bmc.2018.07.039
BindingDB Entry DOI: 10.7270/Q27W6FVM
More data for this
Ligand-Target Pair