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Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50463376'   
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
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50463376
PNG
(CHEMBL4244758)
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-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 25n/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