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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM50090918'   
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))
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by ...


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair