Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'de cleyn' and Initial = 'ma'   

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 (Rattus norvegicus)	BDBM50362745 (CHEMBL1939822) Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O2S/c1-21-17-13-8-3-4-9-14(13)18(22)15(17)16(20-19(21)24)11-6-5-7-12(10-11)23-2/h3-10,16H,1-2H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362764 (CHEMBL1939833) Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H20N2O3S/c24-10-3-4-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-1-2-9-16(15)20(17)25/h1-2,5-9,12,17-18,24H,3-4,10-11H2,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362768 (CHEMBL1939828) Show SMILES COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,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)/t14?,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362757 (CHEMBL1939977) Show SMILES OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c21-9-10-4-3-5-11(8-10)15-14-16(20-18(23)19-15)12-6-1-2-7-13(12)17(14)22/h1-8,14-15,21H,9H2,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362763 (CHEMBL1939832) Show SMILES OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O3S/c22-8-9-24-12-5-3-4-11(10-12)16-15-17(21-19(25)20-16)13-6-1-2-7-14(13)18(15)23/h1-7,10,15-16,22H,8-9H2,(H,20,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362762 (CHEMBL1939836) Show SMILES CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:16| Show InChI InChI=1S/C21H20N2O2S/c1-2-3-11-25-14-8-6-7-13(12-14)18-17-19(23-21(26)22-18)15-9-4-5-10-16(15)20(17)24/h4-10,12,17-18H,2-3,11H2,1H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362764 (CHEMBL1939833) Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H20N2O3S/c24-10-3-4-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-1-2-9-16(15)20(17)25/h1-2,5-9,12,17-18,24H,3-4,10-11H2,(H,22,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362755 (CHEMBL1939980) Show SMILES Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11BrN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362768 (CHEMBL1939828) Show SMILES COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,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)/t14?,15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362745 (CHEMBL1939822) Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O2S/c1-21-17-13-8-3-4-9-14(13)18(22)15(17)16(20-19(21)24)11-6-5-7-12(10-11)23-2/h3-10,16H,1-2H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					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	130	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362767 (CHEMBL1939831) Show SMILES COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1 |c:18| Show InChI InChI=1S/C24H18N2O3S/c1-28-15-9-11-16(12-10-15)29-17-6-4-5-14(13-17)21-20-22(26-24(30)25-21)18-7-2-3-8-19(18)23(20)27/h2-13,20-21H,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362763 (CHEMBL1939832) Show SMILES OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O3S/c22-8-9-24-12-5-3-4-11(10-12)16-15-17(21-19(25)20-16)13-6-1-2-7-14(13)18(15)23/h1-7,10,15-16,22H,8-9H2,(H,20,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362756 (CHEMBL1939976) Show SMILES Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H12N2O2S/c20-10-5-3-4-9(8-10)14-13-15(19-17(22)18-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14,20H,(H,18,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362762 (CHEMBL1939836) Show SMILES CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:16| Show InChI InChI=1S/C21H20N2O2S/c1-2-3-11-25-14-8-6-7-13(12-14)18-17-19(23-21(26)22-18)15-9-4-5-10-16(15)20(17)24/h4-10,12,17-18H,2-3,11H2,1H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362748 (CHEMBL1939984) Show SMILES O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7| Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362751 (CHEMBL1939982) Show SMILES Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11FN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362755 (CHEMBL1939980) Show SMILES Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11BrN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362743 (CHEMBL1939823) Show SMILES COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H20N2O4/c1-26-10-5-11-27-14-7-4-6-13(12-14)18-17-19(23-21(25)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362756 (CHEMBL1939976) Show SMILES Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H12N2O2S/c20-10-5-3-4-9(8-10)14-13-15(19-17(22)18-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14,20H,(H,18,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362757 (CHEMBL1939977) Show SMILES OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c21-9-10-4-3-5-11(8-10)15-14-16(20-18(23)19-15)12-6-1-2-7-13(12)17(14)22/h1-8,14-15,21H,9H2,(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	710	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362748 (CHEMBL1939984) Show SMILES O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7| Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362761 (CHEMBL1939835) Show SMILES COc1cc(OC)cc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O3S/c1-23-11-7-10(8-12(9-11)24-2)16-15-17(21-19(25)20-16)13-5-3-4-6-14(13)18(15)22/h3-9,15-16H,1-2H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362744 (CHEMBL1939824) Show SMILES COc1cccc(c1)C1C2C(=O)c3ccccc3C2=NC(=S)N1C |c:21| Show InChI InChI=1S/C19H16N2O2S/c1-21-17(11-6-5-7-12(10-11)23-2)15-16(20-19(21)24)13-8-3-4-9-14(13)18(15)22/h3-10,15,17H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362751 (CHEMBL1939982) Show SMILES Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11FN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362767 (CHEMBL1939831) Show SMILES COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1 |c:18| Show InChI InChI=1S/C24H18N2O3S/c1-28-15-9-11-16(12-10-15)29-17-6-4-5-14(13-17)21-20-22(26-24(30)25-21)18-7-2-3-8-19(18)23(20)27/h2-13,20-21H,1H3,(H,25,30)	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
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50438760 (CHEMBL2415098) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](OCCn2n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14-12-30(13-27-14)18-8-7-15(11-19(18)32-2)21-28-22-20(33-10-9-31(22)29-21)16-5-3-4-6-17(16)23(24,25)26/h3-8,11-13,20H,9-10H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 4794-800 (2013) Article DOI: 10.1016/j.bmcl.2013.06.100 BindingDB Entry DOI: 10.7270/Q2J67JBD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362743 (CHEMBL1939823) Show SMILES COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H20N2O4/c1-26-10-5-11-27-14-7-4-6-13(12-14)18-17-19(23-21(25)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362746 (CHEMBL1939990) Show SMILES O=C1C2C(NC(=S)N=C2c2ccccc12)c1ccccc1 |c:7| Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)	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
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362746 (CHEMBL1939990) Show SMILES O=C1C2C(NC(=S)N=C2c2ccccc12)c1ccccc1 |c:7| Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362750 (CHEMBL1939981) Show SMILES Fc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11FN2OS/c18-12-8-4-3-7-11(12)15-13-14(19-17(22)20-15)9-5-1-2-6-10(9)16(13)21/h1-8,13,15H,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362759 (CHEMBL1939974) Show SMILES COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11| Show InChI InChI=1S/C19H16N2O3S/c1-23-13-9-5-8-12(18(13)24-2)16-14-15(20-19(25)21-16)10-6-3-4-7-11(10)17(14)22/h3-9,14,16H,1-2H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362761 (CHEMBL1939835) Show SMILES COc1cc(OC)cc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O3S/c1-23-11-7-10(8-12(9-11)24-2)16-15-17(21-19(25)20-16)13-5-3-4-6-14(13)18(15)22/h3-9,15-16H,1-2H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362754 (CHEMBL1939979) Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(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 Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362750 (CHEMBL1939981) Show SMILES Fc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12| Show InChI InChI=1S/C17H11FN2OS/c18-12-8-4-3-7-11(12)15-13-14(19-17(22)20-15)9-5-1-2-6-10(9)16(13)21/h1-8,13,15H,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362754 (CHEMBL1939979) Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362740 (CHEMBL1939825) Show SMILES COc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O3/c1-23-11-6-4-5-10(9-11)15-14-16(20-18(22)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50438761 (CHEMBL2415097) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C24H22F3N5O/c1-15-13-31(14-28-15)20-10-9-16(12-21(20)33-2)22-29-23-18(7-5-11-32(23)30-22)17-6-3-4-8-19(17)24(25,26)27/h3-4,6,8-10,12-14,18H,5,7,11H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4794-800 (2013) Article DOI: 10.1016/j.bmcl.2013.06.100 BindingDB Entry DOI: 10.7270/Q2J67JBD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362740 (CHEMBL1939825) Show SMILES COc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O3/c1-23-11-6-4-5-10(9-11)15-14-16(20-18(22)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50438762 (CHEMBL2415095) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccc(F)cc1C |r| Show InChI InChI=1S/C24H24FN5O/c1-15-11-18(25)7-8-19(15)20-5-4-10-30-24(20)27-23(28-30)17-6-9-21(22(12-17)31-3)29-13-16(2)26-14-29/h6-9,11-14,20H,4-5,10H2,1-3H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4794-800 (2013) Article DOI: 10.1016/j.bmcl.2013.06.100 BindingDB Entry DOI: 10.7270/Q2J67JBD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362749 (CHEMBL1939985) Show SMILES O=C1C2[C@@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7| Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)/t13?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50438760 (CHEMBL2415098) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](OCCn2n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14-12-30(13-27-14)18-8-7-15(11-19(18)32-2)21-28-22-20(33-10-9-31(22)29-21)16-5-3-4-6-17(16)23(24,25)26/h3-8,11-13,20H,9-10H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4794-800 (2013) Article DOI: 10.1016/j.bmcl.2013.06.100 BindingDB Entry DOI: 10.7270/Q2J67JBD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50438759 (CHEMBL2415099) Show SMILES COc1nc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H21F3N6O/c1-14-12-31(13-27-14)19-10-9-18(28-22(19)33-2)20-29-21-16(7-5-11-32(21)30-20)15-6-3-4-8-17(15)23(24,25)26/h3-4,6,8-10,12-13,16H,5,7,11H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4794-800 (2013) Article DOI: 10.1016/j.bmcl.2013.06.100 BindingDB Entry DOI: 10.7270/Q2J67JBD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362765 (CHEMBL1939834) Show SMILES CN(C)CCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H21N3O2S/c1-24(2)10-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-3-4-9-16(15)20(17)25/h3-9,12,17-18H,10-11H2,1-2H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 188 total )  |  Next  |  Last  >>

Jump to: