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SMILES: COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1OC

InChI Key: InChIKey=JXTCDPBRNJDILW-MHLOINQYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463375   
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))		BDBM50463375
PNG
(CHEMBL4243326)
Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1OC |r,t:16,19|
Show InChI InChI=1S/C27H22O9/c1-11-22(30)21-25(36-18-10-14(29)19(12(2)28)26(32)27(18,21)3)20-23(31)17(35-24(11)20)9-13-6-7-15(33-4)16(8-13)34-5/h6-10,29-30H,1-5H3/b17-9-/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+3n/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