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BDBM50010912 CHEMBL721::acrolein::acrylaldehyde

SMILES: C=CC=O

InChI Key: InChIKey=HGINCPLSRVDWNT-UHFFFAOYSA-N

Data: 1 IC50 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50010912
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))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Activation of TRPA1				Nature 445: 541-545 (2007) Article DOI: 10.1038/nature05544 BindingDB Entry DOI: 10.7270/Q2D21ZHQ
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Activation of 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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay				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))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay				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))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in Xenopus oocytes assessed as increase in calcium influx by two electrode voltage clamp method				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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50010912 (CHEMBL721 \| acrolein \| acrylaldehyde) Show SMILES C=CC=O Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at DAT in rat brain striatal synaptosomes by liquid scintillation counting analysis				J Med Chem 60: 839-885 (2017) Article DOI: 10.1021/acs.jmedchem.6b00788 BindingDB Entry DOI: 10.7270/Q2JW8H9T
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair