BindingDB PrimarySearch

Found 303 hits of affinity data for UniProtKB/TrEMBL: P15559
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50316155 (CHEMBL357217 \| ES-936) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 expressed in Escherichia coli using DCPIP as substrate assessed as rate of reduction of DCPIP in presence of NAD...				J Med Chem 61: 6983-7003 (2018) Article DOI: 10.1021/acs.jmedchem.8b00124 BindingDB Entry DOI: 10.7270/Q2N0192H
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35536 (symmetric dicoumarol analogue, 12) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50466800 (CHEMBL4290035) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50466796 (CHEMBL4282511) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin \| 3,3''''-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Similars	DrugBank MMDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35534 (symmetric dicoumarol analogue, 10) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35537 (symmetric dicoumarol analogue, 13) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50466798 (CHEMBL4280515) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50466797 (CHEMBL2237988) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50466799 (CHEMBL4281681) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/...				Eur J Med Chem 127: 828-839 (2017) Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35544 (4-hydroxy-2H-chromen-2-one core, 20) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35541 (4-hydroxy-2H-chromen-2-one core, 17) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin \| 3,3''''-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Similars	DrugBank MMDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35527 (symmetric dicoumarol analogue, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35531 (symmetric dicoumarol analogue, 7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35530 (symmetric dicoumarol analogue, 6) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35533 (symmetric dicoumarol analogue, 9) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin \| 3,3''''-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Similars	DrugBank MMDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055714 (3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-d...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35529 (symmetric dicoumarol analogue, 5) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35547 (4-hydroxy-2H-chromen-2-one core, 23) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35546 (4-hydroxy-2H-chromen-2-one core, 22) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35543 (4-hydroxy-2H-chromen-2-one core, 19) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35540 (4-hydroxy-2H-chromen-2-one core, 16) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35532 (symmetric dicoumarol analogue, 8) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35552 (4-hydroxy-2H-chromen-2-one core, 29) Show SMILES Cc1ccc(Cc2c(O)c3cc(C)c(C)cc3oc2=O)cc1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35528 (symmetric dicoumarol analogue, 4) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35526 (symmetric dicoumarol analogue, 2) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35550 (4-hydroxy-2H-chromen-2-one core, 26) Show SMILES Oc1c(Cc2ccc3ccccc3c2)c(=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35548 (4-hydroxy-2H-chromen-2-one core, 24) Show SMILES Oc1c(Cc2ccccc2)c(=O)oc2ccc3ccccc3c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35549 (4-hydroxy-2H-chromen-2-one core, 25) Show SMILES Oc1c(Cc2cccc3ccccc23)c(=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35551 (4-hydroxy-2H-chromen-2-one core, 28) Show SMILES Cc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35545 (4-hydroxy-2H-chromen-2-one core, 21) Show SMILES Oc1c(Cc2ccccc2)c(=O)oc2c1ccc1ccccc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35527 (symmetric dicoumarol analogue, 3) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	7.5	25
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35542 (4-hydroxy-2H-chromen-2-one core, 18) Show SMILES Cc1cc2oc(=O)c(Cc3ccccc3)c(O)c2cc1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35535 (symmetric dicoumarol analogue, 11) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309775 (5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...) Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309777 (5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35537 (symmetric dicoumarol analogue, 13) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	7.5	25
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309771 (8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM506 (3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309766 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055694 (4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-naph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 in presence of BSA				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM2566 (3-benzyl-4-hydroxy-2H-chromen-2-one \| 4-hydroxy-co...) Show SMILES Oc1c(Cc2ccccc2)c(=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	7.5	n/a
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309774 (5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50226820 (3-((9H-fluoren-3-yl)(4-hydroxy-2-oxo-2H-chromen-3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35541 (4-hydroxy-2H-chromen-2-one core, 17) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	7.5	25
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309768 (5-(2-(dimethylamino)ethylamino)-8-fluoro-6H-[1,2,3...) Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(F)ccc31 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35552 (4-hydroxy-2H-chromen-2-one core, 29) Show SMILES Cc1ccc(Cc2c(O)c3cc(C)c(C)cc3oc2=O)cc1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	7.5	25
University of Manchester					Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa...				J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40
University of Manchester					More data for this Ligand-Target Pair				3D Structure (docked)

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