BindingDB PrimarySearch

null

SMILES: CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1

InChI Key: InChIKey=HEQDZPHDVAOBLN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50318463
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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 (unknown origin)				J Med Chem 57: 5129-40 (2014) Article DOI: 10.1021/jm401986p BindingDB Entry DOI: 10.7270/Q2833TKT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of CA-induced increase in calcium influx incubated for 10 mins pr...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
University of Hull Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in human IMR90 cells assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluoresc...				Bioorg Med Chem 20: 1690-8 (2012) Article DOI: 10.1016/j.bmc.2012.01.020 BindingDB Entry DOI: 10.7270/Q2NV9JQK
University of Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at Sprague-Dawley rat TRPA1 expressed in rat DRG neurons assessed as inhibition of acrolein-induced calcium influx after 40 mins ...				Bioorg Med Chem 20: 1690-8 (2012) Article DOI: 10.1016/j.bmc.2012.01.020 BindingDB Entry DOI: 10.7270/Q2NV9JQK
University of Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human TRPA1 expressed in HEK293 cells after 10 mins by FLIPR assay				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isothiocyanate-induced intracellular calcium influx				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 channel assessed as inhibition of formalin-induced intracellular calcium influx				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 channel expressed in HEK293 cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx by...				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 channel expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular calcium inf...				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 channel assessed as inhibition of nifedipine-induced intracellular calcium influx				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB MMDB Reactome pathway 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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV3 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at human TRPM8 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Mus musculus)	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Activation of mouse TRPA1 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay				Eur J Med Chem 158: 517-533 (2018) Article DOI: 10.1016/j.ejmech.2018.09.021 BindingDB Entry DOI: 10.7270/Q2TB19K7
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB MMDB Reactome pathway 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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay				Eur J Med Chem 158: 517-533 (2018) Article DOI: 10.1016/j.ejmech.2018.09.021 BindingDB Entry DOI: 10.7270/Q2TB19K7
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of CA-induced increase in calcium influx incubated for 10 mins pr...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
University of Hull Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in calcium influx by fluorescence analys...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
University of Hull Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair