Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50007717   

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))	BDBM161012 (US9108905, 1 | US9186360, 89) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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 HEK293F cells assessed as inhibition of AITC-induced increase in calcium influx by FLIPR analysis in ...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM161012 (US9108905, 1 | US9186360, 89) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM161012 (US9108905, 1 | US9186360, 89) Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1 Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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
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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512053 (CHEMBL4456015) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512053 (CHEMBL4456015) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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	4.46E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512059 (CHEMBL4454519) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.99E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512062 (CHEMBL4454627) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClFN2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512055 (CHEMBL4517528) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)9-10-15(19)18-14-8-4-2-6-12(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512062 (CHEMBL4454627) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClFN2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512059 (CHEMBL4454519) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512055 (CHEMBL4517528) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)9-10-15(19)18-14-8-4-2-6-12(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM97230 (2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512062 (CHEMBL4454627) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClFN2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+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 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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM97230 (2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C17H15NO4/c1-22-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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	1.78E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					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+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512055 (CHEMBL4517528) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)9-10-15(19)18-14-8-4-2-6-12(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512055 (CHEMBL4517528) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)9-10-15(19)18-14-8-4-2-6-12(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512056 (CHEMBL4562546) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512054 (CHEMBL4458679) Show SMILES C\C(=C/c1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO3/c1-12(11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512056 (CHEMBL4562546) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512054 (CHEMBL4458679) Show SMILES C\C(=C/c1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO3/c1-12(11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b12-11+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512058 (CHEMBL4446849) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO3/c18-17(19,20)12-8-5-11(6-9-12)7-10-15(22)21-14-4-2-1-3-13(14)16(23)24/h1-10H,(H,21,22)(H,23,24)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512058 (CHEMBL4446849) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO3/c18-17(19,20)12-8-5-11(6-9-12)7-10-15(22)21-14-4-2-1-3-13(14)16(23)24/h1-10H,(H,21,22)(H,23,24)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512063 (CHEMBL4516367) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512052 (CHEMBL4446136) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512052 (CHEMBL4446136) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512063 (CHEMBL4516367) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512052 (CHEMBL4446136) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512052 (CHEMBL4446136) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512059 (CHEMBL4454519) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50512059 (CHEMBL4454519) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+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 TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins p...				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512060 (CHEMBL4551396) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1O Show InChI InChI=1S/C18H17NO5/c1-2-24-16-11-12(7-9-15(16)20)8-10-17(21)19-14-6-4-3-5-13(14)18(22)23/h3-11,20H,2H2,1H3,(H,19,21)(H,22,23)/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512060 (CHEMBL4551396) Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1O Show InChI InChI=1S/C18H17NO5/c1-2-24-16-11-12(7-9-15(16)20)8-10-17(21)19-14-6-4-3-5-13(14)18(22)23/h3-11,20H,2H2,1H3,(H,19,21)(H,22,23)/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM21613 (2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benz...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC Show InChI InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM21613 (2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benz...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC Show InChI InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.92E+3	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512051 (CHEMBL4557362) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C17H15NO3/c1-12-6-8-13(9-7-12)10-11-16(19)18-15-5-3-2-4-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.49E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50203065 (3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...) Show SMILES O=C\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in 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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50485599 (5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] | C...) Show SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 in WI38 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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512056 (CHEMBL4562546) Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO3/c17-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b10-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512051 (CHEMBL4557362) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C17H15NO3/c1-12-6-8-13(9-7-12)10-11-16(19)18-15-5-3-2-4-14(15)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.58E+5	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512052 (CHEMBL4446136) Show SMILES COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50512057 (CHEMBL4460424) Show SMILES OC(=O)c1ccccc1NC(=O)C(=C\c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C22H17NO3/c24-21(23-20-14-8-7-13-18(20)22(25)26)19(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-15H,(H,23,24)(H,25,26)/b19-15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.12E+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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50203065 (3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...) Show SMILES O=C\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	8.51E+3	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 BindingDB Entry DOI: 10.7270/Q2F76GWS
					More data for this Ligand-Target Pair

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