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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50438882   
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 2


(Homo sapiens (Human))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
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n/an/a 2.00E+4n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
PDB

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PubMed
n/an/a 7.10E+4n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(Mus musculus (Mouse))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
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n/an/a 7.10E+4n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Mus musculus (Mouse))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
PDB

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n/an/a>1.11E+5n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321C]


(Mus musculus (Mouse))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
PDB

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PubMed
n/an/a>1.11E+5n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
PDB
MMDB

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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
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n/an/a>3.45E+5n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Inhibition of rat brain protein kinase C


Eur J Med Chem 43: 1376-89 (2008)


Article DOI: 10.1016/j.ejmech.2007.10.011
BindingDB Entry DOI: 10.7270/Q24170WH
More data for this
Ligand-Target Pair