BindingDB PrimarySearch

BDBM50438863 10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quinoline-8-carbonitrile (2)::CHEMBL2420465

SMILES: Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

InChI Key: InChIKey=JAOMIQIQBBRLQX-UHFFFAOYSA-N

Data: 8 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50438863
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/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
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	n/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
National Institutes of Health					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...				J Med Chem 62: 4669-4682 (2019) Article DOI: 10.1021/acs.jmedchem.9b00274
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT) (Mus musculus (Mouse))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	7.5	n/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
National Institutes of Health					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M) (Mus musculus (Mouse))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	n/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
National Institutes of Health					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M) (Mus musculus (Mouse))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	n/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
National Institutes of Health					More data for this Ligand-Target Pair				3D Structure (crystal)
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438863 (10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	n/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
National Institutes of Health					More data for this Ligand-Target Pair