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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1' and Ligand = 'BDBM60991'   
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))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.10E+4n/an/an/an/a7.525



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


US Patent US9402842 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q9R
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.10E+4n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Tdp1 (unknown origin) using 3'-phosphate(GATCTAAAAGACTT) as substrate by surface plasmon resonance analysis


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair