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SMILES: CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=UYJAKOHZWLQRJJ-NZVVRSBTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50463368   
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))		BDBM50463368
PNG
(CHEMBL4250901)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C |r,c:3,t:6|
Show InChI InChI=1S/C33H34O8/c1-14-25(36)24-29(41-21-13-19(35)22(15(2)34)30(39)33(21,24)9)23-27(38)20(40-28(14)23)11-16-10-17(31(3,4)5)12-18(26(16)37)32(6,7)8/h10-13,35-37H,1-9H3/b20-11-/t33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/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