Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50318458'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50318458 (4-bromo-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES Clc1ccc(SC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H10BrCl4NOS/c16-10-3-1-9(2-4-10)13(22)21-14(15(18,19)20)23-12-7-5-11(17)6-8-12/h1-8,14H,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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 noxious cold-induced receptor activation				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))	BDBM50318458 (4-bromo-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES Clc1ccc(SC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H10BrCl4NOS/c16-10-3-1-9(2-4-10)13(22)21-14(15(18,19)20)23-12-7-5-11(17)6-8-12/h1-8,14H,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318458 (4-bromo-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES Clc1ccc(SC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H10BrCl4NOS/c16-10-3-1-9(2-4-10)13(22)21-14(15(18,19)20)23-12-7-5-11(17)6-8-12/h1-8,14H,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	252	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 currents				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