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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50507146'   
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))		BDBM50507146
PNG
(CHEMBL4452868)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(n3)-c3ccccc3)[C@@]2(C)C1=O |r,c:3,t:6|
Show InChI InChI=1S/C25H19NO6S/c1-11-20(29)18(14-10-33-24(26-14)13-7-5-4-6-8-13)22-19(21(11)30)25(3)16(32-22)9-15(28)17(12(2)27)23(25)31/h4-10,28-30H,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...

Eur J Med Chem 161: 581-593 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.055
BindingDB Entry DOI: 10.7270/Q2B56P1F
More data for this
Ligand-Target Pair