Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'materazzi' and Initial = 's'   

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))	BDBM50318455 (AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...) Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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))	BDBM50318455 (AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...) Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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	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))	BDBM50318456 (4-methoxy-N-(2,2,2-trichloro-1-(4-chlorophenylthio...) Show SMILES COc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl4NO2S/c1-23-12-6-2-10(3-7-12)14(22)21-15(16(18,19)20)24-13-8-4-11(17)5-9-13/h2-9,15H,1H3,(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	29	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))	BDBM50318457 (4-nitro-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C15H10Cl4N2O3S/c16-10-3-7-12(8-4-10)25-14(15(17,18)19)20-13(22)9-1-5-11(6-2-9)21(23)24/h1-8,14H,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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	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))	BDBM50318456 (4-methoxy-N-(2,2,2-trichloro-1-(4-chlorophenylthio...) Show SMILES COc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl4NO2S/c1-23-12-6-2-10(3-7-12)14(22)21-15(16(18,19)20)24-13-8-4-11(17)5-9-13/h2-9,15H,1H3,(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	91	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))	BDBM50318457 (4-nitro-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C15H10Cl4N2O3S/c16-10-3-7-12(8-4-10)25-14(15(17,18)19)20-13(22)9-1-5-11(6-2-9)21(23)24/h1-8,14H,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	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))	BDBM50318455 (AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...) Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362753 (CHEMBL1939978) Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	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 CHO cells assessed as inhibition of calcium influx				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))	BDBM50318457 (4-nitro-N-(2,2,2-trichloro-1-(4-chlorophenylthio)e...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C15H10Cl4N2O3S/c16-10-3-7-12(8-4-10)25-14(15(17,18)19)20-13(22)9-1-5-11(6-2-9)21(23)24/h1-8,14H,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318468 (CHEMBL1083804 | N-(4-(4-chloro-3-methylphenyl)thia...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(C)c3)c2C1=O Show InChI InChI=1S/C21H16ClN3O3S/c1-11-8-12(6-7-15(11)22)16-10-29-21(23-16)24-17(26)9-13-4-3-5-14-18(13)20(28)25(2)19(14)27/h3-8,10H,9H2,1-2H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				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))	BDBM50318467 (CHEMBL1083803 | N-(4-(3,4-dichlorophenyl)thiazol-2...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(Cl)c3)c2C1=O Show InChI InChI=1S/C20H13Cl2N3O3S/c1-25-18(27)12-4-2-3-11(17(12)19(25)28)8-16(26)24-20-23-15(9-29-20)10-5-6-13(21)14(22)7-10/h2-7,9H,8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				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))	BDBM50318469 (CHEMBL1086092 | N-(4-(3,5-difluoro-4-(trifluoromet...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(c(F)c3)C(F)(F)F)c2C1=O Show InChI InChI=1S/C21H12F5N3O3S/c1-29-18(31)11-4-2-3-9(16(11)19(29)32)7-15(30)28-20-27-14(8-33-20)10-5-12(22)17(13(23)6-10)21(24,25)26/h2-6,8H,7H2,1H3,(H,27,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318456 (4-methoxy-N-(2,2,2-trichloro-1-(4-chlorophenylthio...) Show SMILES COc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl4NO2S/c1-23-12-6-2-10(3-7-12)14(22)21-15(16(18,19)20)24-13-8-4-11(17)5-9-13/h2-9,15H,1H3,(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	260	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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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 trinitrophenol-induced response				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))	BDBM50363882 (CHEMBL1944838) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H15F3N4O3/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-11-5-3-10(4-6-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 (Homo sapiens (Human))	BDBM50318465 (CHEMBL1085863 | N-(4-(4-chlorophenyl)thiazol-2-yl)...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)cc3)c2C1=O Show InChI InChI=1S/C20H14ClN3O3S/c1-24-18(26)14-4-2-3-12(17(14)19(24)27)9-16(25)23-20-22-15(10-28-20)11-5-7-13(21)8-6-11/h2-8,10H,9H2,1H3,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				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))	BDBM50318466 (2-(2-methyl-1,3-dioxoisoindolin-4-yl)-N-(4-(3-(tri...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)c2C1=O Show InChI InChI=1S/C21H14F3N3O3S/c1-27-18(29)14-7-3-5-12(17(14)19(27)30)9-16(28)26-20-25-15(10-31-20)11-4-2-6-13(8-11)21(22,23)24/h2-8,10H,9H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				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))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	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 hypertonic solution of 400 mOsm-induced response				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))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	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 URB597-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))	BDBM50363888 (CHEMBL1944846) Show SMILES CCCCc1ccc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)cc1 Show InChI InChI=1S/C20H24N4O3/c1-4-5-6-14-7-9-15(10-8-14)21-17(25)13-24-12-11-16-18(24)19(26)23(3)20(27)22(16)2/h7-12H,4-6,13H2,1-3H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt 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
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 (Homo sapiens (Human))	BDBM50318460 (CHEMBL1085104 | S-2,2,2-trichloro-1-(4-chlorobenza...) Show SMILES CC(=O)SC(NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H9Cl4NO2S/c1-6(17)19-10(11(13,14)15)16-9(18)7-2-4-8(12)5-3-7/h2-5,10H,1H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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 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))	BDBM50318470 (1-(6-fluoropyridin-3-yl)-2-methylpent-1-en-3-one o...) Show SMILES CCC(N=O)C(C)=Cc1ccc(F)nc1 |w:7.7| Show InChI InChI=1S/C11H13FN2O/c1-3-10(14-15)8(2)6-9-4-5-11(12)13-7-9/h4-7,10H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+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
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50363883 (CHEMBL1946120) Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H15F4N5O3S/c1-27-14-5-6-29(16(14)17(31)28(2)19(27)32)8-15(30)26-18-25-13(9-33-18)10-3-4-12(21)11(7-10)20(22,23)24/h3-7,9H,8H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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))	BDBM50363883 (CHEMBL1946120) Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H15F4N5O3S/c1-27-14-5-6-29(16(14)17(31)28(2)19(27)32)8-15(30)26-18-25-13(9-33-18)10-3-4-12(21)11(7-10)20(22,23)24/h3-7,9H,8H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 (Homo sapiens (Human))	BDBM50318473 (2-methyl-1-(thiophen-3-yl)pent-1-en-3-one oxime | ...) Show SMILES CCC(N=O)C(C)=Cc1ccsc1 |w:7.7| Show InChI InChI=1S/C10H13NOS/c1-3-10(11-12)8(2)6-9-4-5-13-7-9/h4-7,10H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318461 (4-methyl-N-(2,2,2-trichloro-1-(4-chlorophenylthio)...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl4NOS/c1-10-2-4-11(5-3-10)14(22)21-15(16(18,19)20)23-13-8-6-12(17)7-9-13/h2-9,15H,1H3,(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	1.40E+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
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362753 (CHEMBL1939978) Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+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 (Homo sapiens (Human))	BDBM50363889 (CHEMBL1944847) Show SMILES CCCCCCc1ccc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)cc1 Show InChI InChI=1S/C22H28N4O3/c1-4-5-6-7-8-16-9-11-17(12-10-16)23-19(27)15-26-14-13-18-20(26)21(28)25(3)22(29)24(18)2/h9-14H,4-8,15H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt 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
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 (Homo sapiens (Human))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 4-hydroxy-2-nonenal-induced response				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))	BDBM50363885 (CHEMBL1947275) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(I)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H15IN4O3/c1-19-12-7-8-21(14(12)15(23)20(2)16(19)24)9-13(22)18-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,18,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
					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 CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)	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
					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 CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)	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
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50363891 (CHEMBL1946119) Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H16F3N5O3S/c1-26-14-7-8-28(16(14)17(30)27(2)19(26)31)9-15(29)25-18-24-13(10-32-18)11-3-5-12(6-4-11)20(21,22)23/h3-8,10H,9H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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)	BDBM50318463 (2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...) Show SMILES CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)	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
					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 | ...) Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6| Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3	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 (Homo sapiens (Human))	BDBM50318462 (4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...) Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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 assessed as inhibition of cynnamaldehyde-induced response				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))	BDBM50363892 (CHEMBL1946121) Show SMILES CCCCCCc1ccc(cc1)-c1csc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)n1 Show InChI InChI=1S/C25H29N5O3S/c1-4-5-6-7-8-17-9-11-18(12-10-17)19-16-34-24(26-19)27-21(31)15-30-14-13-20-22(30)23(32)29(3)25(33)28(20)2/h9-14,16H,4-8,15H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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)	BDBM50363882 (CHEMBL1944838) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H15F3N4O3/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-11-5-3-10(4-6-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at 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 | ...) Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6| Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3	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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50363884 (CHEMBL1947272) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H15FN4O3/c1-19-12-7-8-21(14(12)15(23)20(2)16(19)24)9-13(22)18-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,18,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at 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 (Homo sapiens (Human))	BDBM50363887 (CHEMBL1944845) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H24N4O3/c1-20(2,3)13-6-8-14(9-7-13)21-16(25)12-24-11-10-15-17(24)18(26)23(5)19(27)22(15)4/h6-11H,12H2,1-5H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at 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 | ...) Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6| Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3	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))	BDBM50363886 (CHEMBL1944839) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H15F3N4O4/c1-22-12-7-8-24(14(12)15(26)23(2)16(22)27)9-13(25)21-10-3-5-11(6-4-10)28-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+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)	BDBM50362753 (CHEMBL1939978) Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at 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))	BDBM50363890 (CHEMBL1945689) Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H16FN5O3S/c1-23-14-7-8-25(16(14)17(27)24(2)19(23)28)9-15(26)22-18-21-13(10-29-18)11-3-5-12(20)6-4-11/h3-8,10H,9H2,1-2H3,(H,21,22,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at 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 (Mus musculus)	BDBM50305207 (4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...) Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6| Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3	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

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