BindingDB PrimarySearch

Found 184 hits with Last Name = 'reddy' and Initial = 'pv'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50102258 ((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity PSMA (unknown origin)				J Med Chem 58: 3094-103 (2015) Article DOI: 10.1021/jm5018384 BindingDB Entry DOI: 10.7270/Q2MG7R6G
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363378 (CHEMBL1945729) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50102258 ((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin)				J Med Chem 58: 3094-103 (2015) Article DOI: 10.1021/jm5018384 BindingDB Entry DOI: 10.7270/Q2MG7R6G
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363366 (CHEMBL1945406) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM29227 (casimiroin analogue, 1p) Show SMILES COc1cc(OC)c2n(C)c(=O)cc(C)c2c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363373 (CHEMBL1945627) Show SMILES COC(=O)c1cc(nc2cc(N)c(N)c(Cl)c12)C(N)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363372 (CHEMBL1945626) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione \| 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29229 (casimiroin analogue, 1r) Show SMILES COc1c(OC)c(OC)c2n(C)c(=O)cc(C)c2c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29221 (casimiroin analogue, 1j) Show SMILES COc1cc(OC)c2n(C)c(=O)cc(C)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29223 (casimiroin analogue, 1l) Show SMILES COc1ccc(OC)c2n(C)c(=O)cc(C)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol \| 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50158383 (2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363369 (CHEMBL1945620) Show SMILES COC(=O)c1cc(nc2cc(N)cc(Cl)c12)C(N)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29213 (casimiroin analogue, 1b) Show SMILES Cc1cc(=O)n(C)c2c3OCOc3ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363370 (CHEMBL1945624) Show SMILES NC(=O)c1cc(C(N)=O)c2cc(I)c(N)cc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363365 (CHEMBL1945623) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363371 (CHEMBL1945625) Show SMILES COC(=O)c1cc(nc2cc(N)c(I)cc12)C(N)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29221 (casimiroin analogue, 1j) Show SMILES COc1cc(OC)c2n(C)c(=O)cc(C)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM29217 (casimiroin analogue, 1f) Show SMILES COc1cccc2c(C)cc(=O)n(C)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29225 (casimiroin analogue, 1n) Show SMILES COc1cc2c(C)cc(=O)n(C)c2c(OC)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363367 (CHEMBL1945407) Show SMILES COC(=O)c1cc(C(=O)OC)c2c(Cl)cc(N)cc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29210 (casimiroin) Show SMILES COc1cc(=O)n(C)c2c3OCOc3ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363364 (CHEMBL1944648) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29223 (casimiroin analogue, 1l) Show SMILES COc1ccc(OC)c2n(C)c(=O)cc(C)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425045 (CHEMBL2312896 \| CHEMBL2322964 \| US9402842, 43) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425086 (CHEMBL2312906 \| US9402842, 84) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363368 (CHEMBL1945619) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29228 (casimiroin analogue, 1q) Show SMILES COc1c(OC)c(OC)c2c(C)cc(=O)[nH]c2c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM29219 (casimiroin analogue, 1h) Show SMILES COc1ccc2c(C)cc(=O)n(C)c2c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29217 (casimiroin analogue, 1f) Show SMILES COc1cccc2c(C)cc(=O)n(C)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363375 (CHEMBL1945629) Show SMILES CN1C(=O)c2cc(nc3c(Cl)cc(Cl)c1c23)C(N)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425087 (CHEMBL218884 \| US9402842, 55) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29226 (casimiroin analogue, 1o) Show SMILES COc1cc(OC)c2[nH]c(=O)cc(C)c2c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29213 (casimiroin analogue, 1b) Show SMILES Cc1cc(=O)n(C)c2c3OCOc3ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425085 (CHEMBL2312908 \| US9402842, 89) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29225 (casimiroin analogue, 1n) Show SMILES COc1cc2c(C)cc(=O)n(C)c2c(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363376 (CHEMBL1945630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29220 (casimiroin analogue, 1i) Show SMILES COc1cc(OC)c2[nH]c(=O)cc(C)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363363 (CHEMBL1945622) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29219 (casimiroin analogue, 1h) Show SMILES COc1ccc2c(C)cc(=O)n(C)c2c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29224 (casimiroin analogue, 1m) Show SMILES COc1cc2c(C)cc(=O)[nH]c2c(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29222 (casimiroin analogue, 1k) Show SMILES COc1ccc(OC)c2c(C)cc(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29212 (casimiroin analogue, 1a) Show SMILES Cc1cc(=O)[nH]c2c3OCOc3ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29227 (casimiroin analogue, 1p) Show SMILES COc1cc(OC)c2n(C)c(=O)cc(C)c2c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425088 (CHEMBL375623 \| US9402842, 54) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50425084 (CHEMBL2312893 \| US9402842, 40) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM9019 (CHEMBL45 \| Melatonin \| N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...				J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 \| US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 \| CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair

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