BDBM50305207 4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime::CHEMBL593902
SMILES: CC(N=O)C(C)=Cc1ccc(Cl)cc1
InChI Key: InChIKey=KKWDVPSRWHSHCQ-UHFFFAOYSA-N
Data: 8 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Renovis, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count | Bioorg Med Chem Lett 20: 276-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.113 BindingDB Entry DOI: 10.7270/Q2K074C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.10E+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 CHO cells assessed as inhibition of CA-induced increase in calcium influx by Fluo-4 dye based FLIPR a... | Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Mus musculus) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferrara University Curated by ChEMBL | Assay Description Antagonist activity at mouse TRPA1 channel expressed in CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx | J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.47E+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 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+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 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human)) | BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.10E+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 CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx | J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02 | |||||||||||
More data for this Ligand-Target Pair |