Compile Data Set for Download or QSAR

Found 513 hits with Last Name = 'lepissier' and Initial = 'l'   

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))	BDBM452916 (7-amino-5-methyl-3- [[3-[(1S,5S,6R)-3- phenyl-6-bi...) Show SMILES Cc1cc(N)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:20| Show InChI InChI=1S/C23H20N6O2/c1-12-7-17(24)26-21-19(12)23(30)29(11-25-21)10-18-27-22(28-31-18)20-15-8-14(9-16(15)20)13-5-3-2-4-6-13/h2-8,11,15-16,20H,9-10H2,1H3,(H2,24,26)/t15-,16+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452903 (7-methyl-1-((3- ((1S,5S,6R)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H18N6O2/c1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12/h2-7,10-11,14-15,17H,8-9H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452792 (1-((3-((1S,5S,6R)-3- (3-fluorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17FN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-3-2-4-13(22)5-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452862 (1-((3-((1S,5S,6R)-3- (3-chlorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17ClN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-3-2-4-13(22)5-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257775 (CHEMBL4100462) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C24H20FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)16-6-9-19(25)10-7-16)30-14-18(8-11-22(30)27-20)17-5-4-12-26-13-17/h4-15H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452915 (1-((3-((1R,5S,6r)-3- (benzo[d]isothiazol- 5-yl)-3-...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4sncc4c3)c(=O)c12 |r| Show InChI InChI=1S/C21H18N8O2S/c1-27-9-22-20-18(27)21(30)29(10-23-20)8-16-25-19(26-31-16)17-13-6-28(7-14(13)17)12-2-3-15-11(4-12)5-24-32-15/h2-5,9-10,13-14,17H,6-8H2,1H3/t13-,14+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452932 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3- difluorophenyl...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-15-26-19(27-31-15)16-12-5-10(6-13(12)16)11-3-2-4-14(22)17(11)23/h2-5,8-9,12-13,16H,6-7H2,1H3/t12-,13+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452793 (1-((3-((1R,5R,6S)-3- (3-fluorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17FN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-3-2-4-13(22)5-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452948 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,5- difluorophenyl...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)cc(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-16-26-19(27-31-16)17-14-4-11(5-15(14)17)10-2-12(22)6-13(23)3-10/h2-4,6,8-9,14-15,17H,5,7H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452778 (1-((3-((1R,5S,6r)-3- (2,3-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-14-25-18(26-31-14)15-10-5-28(6-11(10)15)13-4-2-3-12(21)16(13)22/h2-4,8-11,15H,5-7H2,1H3/t10-,11+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452892 (6-((3-((1R,5S,6r)-3- (3-chlorophenyl)-3- azabicycl...) Show SMILES Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r| Show InChI InChI=1S/C21H17ClN6O2/c22-12-3-1-4-13(7-12)27-9-15-16(10-27)19(15)20-25-18(30-26-20)11-28-21(29)14-5-2-6-23-17(14)8-24-28/h1-8,15-16,19H,9-11H2/t15-,16+,19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.88	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452803 (1-((3-((1S,5S,6R)-3- (4-fluorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)cc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17FN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-2-4-13(22)5-3-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452786 (1-methyl-6-((3- ((1S,5S,6R)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C20H17N7O2/c1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452956 (7-methyl-1-[[3- [(1S,5S,6R)-3-(1,3- benzothiazol-6...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc4ncsc4c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H17N7O2S/c1-28-8-23-21-19(28)22(30)29(9-24-21)7-17-26-20(27-31-17)18-13-4-12(5-14(13)18)11-2-3-15-16(6-11)32-10-25-15/h2-4,6,8-10,13-14,18H,5,7H2,1H3/t13-,14+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452770 (1-((3-((1R,5S,6r)-3- (3,5-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)cc(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-15-25-18(26-31-15)16-13-5-28(6-14(13)16)12-3-10(21)2-11(22)4-12/h2-4,8-9,13-14,16H,5-7H2,1H3/t13-,14+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452932 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3- difluorophenyl...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-15-26-19(27-31-15)16-12-5-10(6-13(12)16)11-3-2-4-14(22)17(11)23/h2-5,8-9,12-13,16H,6-7H2,1H3/t12-,13+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452773 (5-methyl-3-((3- ((1R,5S,6r)-3- phenyl-3- azabicycl...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C20H19N7O2/c1-12-7-21-27-18(12)20(28)26(11-22-27)10-16-23-19(24-29-16)17-14-8-25(9-15(14)17)13-5-3-2-4-6-13/h2-7,11,14-15,17H,8-10H2,1H3/t14-,15+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452817 (6-((3-((1R,5S,6r)-3- (3-chlorophenyl)-3- azabicycl...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN8O2/c1-26-16-18(23-25-26)21-9-28(19(16)29)8-14-22-17(24-30-14)15-12-6-27(7-13(12)15)11-4-2-3-10(20)5-11/h2-5,9,12-13,15H,6-8H2,1H3/t12-,13+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452933 (8-amino-7-methyl-1- [[3-[(1S,5S,6R)-3- phenyl-6-bi...) Show SMILES Cn1c(N)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:19| Show InChI InChI=1S/C21H19N7O2/c1-27-17-19(25-21(27)22)23-10-28(20(17)29)9-15-24-18(26-30-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3,(H2,22,25)/t13-,14+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452783 (1-((3-((1R,5S,6r)-3- (3,4-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-15-25-18(26-31-15)16-11-5-28(6-12(11)16)10-2-3-13(21)14(22)4-10/h2-4,8-9,11-12,16H,5-7H2,1H3/t11-,12+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452771 (1-((3-((1S,5S,6R)-3- (3,4-difluorophenyl) bicyclo[...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-16-26-19(27-31-16)17-12-4-11(5-13(12)17)10-2-3-14(22)15(23)6-10/h2-4,6,8-9,12-13,17H,5,7H2,1H3/t12-,13+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452851 (3-((3-((1R,5S,6r)-3- (3-chlorophenyl)-3- azabicycl...) Show SMILES Cn1c2c(ccc1=O)ncn(Cc1nc(no1)[C@@H]1[C@H]3CN(C[C@@H]13)c1cccc(Cl)c1)c2=O |r| Show InChI InChI=1S/C22H19ClN6O3/c1-27-18(30)6-5-16-20(27)22(31)29(11-24-16)10-17-25-21(26-32-17)19-14-8-28(9-15(14)19)13-4-2-3-12(23)7-13/h2-7,11,14-15,19H,8-10H2,1H3/t14-,15+,19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.97	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452787 (1-methyl-6-((3- ((1R,5R,6S)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C20H17N7O2/c1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452939 (7-amino-3-[[3- [(1R,5S)-3-(3- fluorophenyl)-3- aza...) Show SMILES Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3)c2=O)n1 |r| Show InChI InChI=1S/C21H18FN7O2/c22-11-2-1-3-12(6-11)28-7-14-15(8-28)18(14)20-26-17(31-27-20)9-29-10-24-19-13(21(29)30)4-5-16(23)25-19/h1-6,10,14-15,18H,7-9H2,(H2,23,25)/t14-,15+,18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452914 (1-((3-((1R,5S,6r)-3- (3-chloro-2-fluoro- phenyl)-3...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3F)c(=O)c12 |r| Show InChI InChI=1S/C20H17ClFN7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-14-25-18(26-31-14)15-10-5-28(6-11(10)15)13-4-2-3-12(21)16(13)22/h2-4,8-11,15H,5-7H2,1H3/t10-,11+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452945 (7-methyl-1-[[3- [(1R,5R,6S)-3-(1,3- benzoxazol-5-y...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4oncc4c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H17N7O3/c1-28-9-23-21-19(28)22(30)29(10-24-21)8-17-26-20(27-32-17)18-14-5-12(6-15(14)18)11-2-3-16-13(4-11)7-25-31-16/h2-5,7,9-10,14-15,18H,6,8H2,1H3/t14-,15+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452947 (7-methyl-1-[[3- [(1S,5S,6R)-3-(2,4- difluorophenyl...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)cc3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-16-26-19(27-31-16)17-13-4-10(5-14(13)17)12-3-2-11(22)6-15(12)23/h2-4,6,8-9,13-14,17H,5,7H2,1H3/t13-,14+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452760 (7-methyl-1-[[3- [(1S,5S,6R)-3-(2- fluorophenyl)-6-...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17FN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-13-6-11(7-14(13)17)12-4-2-3-5-15(12)22/h2-6,9-10,13-14,17H,7-8H2,1H3/t13-,14+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452696 (7-methyl-1-[[3- [(1R,5S,6 r)-3-(3- fluorophenyl)-3...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C20H18FN7O2/c1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-13-6-27(7-14(13)16)12-4-2-3-11(21)5-12/h2-5,9-10,13-14,16H,6-8H2,1H3/t13-,14+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452772 (1-((3-((1R,5R,6S)-3- (3,4-difluorophenyl) bicyclo[...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H16F2N6O2/c1-28-8-24-20-18(28)21(30)29(9-25-20)7-16-26-19(27-31-16)17-12-4-11(5-13(12)17)10-2-3-14(22)15(23)6-10/h2-4,6,8-9,12-13,17H,5,7H2,1H3/t12-,13+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257807 (CHEMBL4073638) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H31ClN6O3S/c1-4-22-26(33(3)27-32-23(17-39-27)18-6-9-20(29)10-7-18)35-16-19(8-11-24(35)31-22)25(36)30-21-12-14-34(15-13-21)28(37)38-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452819 (1-((3-((1S,5S,6R)-3- (4-chlorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(Cl)cc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17ClN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-2-4-13(22)5-3-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452891 (6-((3-((1R,5S,6r)-3- phenyl-3-azabicyclo [3.1.0]he...) Show SMILES O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccccc2)ncc2ncccc12 |r| Show InChI InChI=1S/C21H18N6O2/c28-21-14-7-4-8-22-17(14)9-23-27(21)12-18-24-20(25-29-18)19-15-10-26(11-16(15)19)13-5-2-1-3-6-13/h1-9,15-16,19H,10-12H2/t15-,16+,19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452774 (6-((3-((1R,5S,6r)-3- (3-fluorophenyl)-3- azabicycl...) Show SMILES Fc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r| Show InChI InChI=1S/C21H17FN6O2/c22-12-3-1-4-13(7-12)27-9-15-16(10-27)19(15)20-25-18(30-26-20)11-28-21(29)14-5-2-6-23-17(14)8-24-28/h1-8,15-16,19H,9-11H2/t15-,16+,19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452696 (7-methyl-1-[[3- [(1R,5S,6 r)-3-(3- fluorophenyl)-3...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C20H18FN7O2/c1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-13-6-27(7-14(13)16)12-4-2-3-11(21)5-12/h2-5,9-10,13-14,16H,6-8H2,1H3/t13-,14+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452961 (2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- pur...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(C#N)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H16FN7O2/c1-29-9-25-21-19(29)22(31)30(10-26-21)8-17-27-20(28-32-17)18-14-4-13(5-15(14)18)11-2-3-12(7-24)16(23)6-11/h2-4,6,9-10,14-15,18H,5,8H2,1H3/t14-,15+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452917 (7-amino-3-[[3- [(1S,5S,6R)-3-phenyl- 6-bicyclo[3.1...) Show SMILES Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c2=O)n1 |r,c:19| Show InChI InChI=1S/C22H18N6O2/c23-17-7-6-14-20(25-17)24-11-28(22(14)29)10-18-26-21(27-30-18)19-15-8-13(9-16(15)19)12-4-2-1-3-5-12/h1-8,11,15-16,19H,9-10H2,(H2,23,25)/t15-,16+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452816 (3-((3-((1R,5S,6r)-3- (4-chloropyridin-2-yl)- 3-aza...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN8O2/c1-10-5-22-28-17(10)19(29)27(9-23-28)8-15-24-18(25-30-15)16-12-6-26(7-13(12)16)14-4-11(20)2-3-21-14/h2-5,9,12-13,16H,6-8H2,1H3/t12-,13+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452926 (1-[[3-[trans-3- [difluoro-(3- fluorophenyl)methyl]...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@H](C3)C(F)(F)c3cccc(F)c3)c(=O)c12 |r,wU:14.14,16.19,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.75,.55,;3.72,-.65,;2.52,-1.62,;5.25,-.81,;5.88,-2.22,;6.78,-.97,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)| Show InChI InChI=1S/C20H17F3N6O2/c1-28-9-24-18-16(28)19(30)29(10-25-18)8-15-26-17(27-31-15)11-5-13(6-11)20(22,23)12-3-2-4-14(21)7-12/h2-4,7,9-11,13H,5-6,8H2,1H3/t11-,13+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452957 (6-[[3-[(1R,5S)-3- (1,3-benzothiazol-6- yl)-3-azabi...) Show SMILES O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccc3ncsc3c2)ncc2ncccc12 |r| Show InChI InChI=1S/C22H17N7O2S/c30-22-13-2-1-5-23-17(13)7-25-29(22)10-19-26-21(27-31-19)20-14-8-28(9-15(14)20)12-3-4-16-18(6-12)32-11-24-16/h1-7,11,14-15,20H,8-10H2/t14-,15+,20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452786 (1-methyl-6-((3- ((1S,5S,6R)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C20H17N7O2/c1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452891 (6-((3-((1R,5S,6r)-3- phenyl-3-azabicyclo [3.1.0]he...) Show SMILES O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccccc2)ncc2ncccc12 |r| Show InChI InChI=1S/C21H18N6O2/c28-21-14-7-4-8-22-17(14)9-23-27(21)12-18-24-20(25-29-18)19-15-10-26(11-16(15)19)13-5-2-1-3-6-13/h1-9,15-16,19H,10-12H2/t15-,16+,19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452920 (7-methyl-1-[[3- [(1R,5R,6S)-3-(2,3,4- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-14-27-19(28-32-14)15-11-4-9(5-12(11)15)10-2-3-13(22)17(24)16(10)23/h2-4,7-8,11-12,15H,5-6H2,1H3/t11-,12+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452777 (1-((3-((1R,5S,6r)-3- (2,5-difluorophenyl)- 3-azabi...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)ccc3F)c(=O)c12 |r| Show InChI InChI=1S/C20H17F2N7O2/c1-27-8-23-19-17(27)20(30)29(9-24-19)7-15-25-18(26-31-15)16-11-5-28(6-12(11)16)14-4-10(21)2-3-13(14)22/h2-4,8-9,11-12,16H,5-7H2,1H3/t11-,12+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452792 (1-((3-((1S,5S,6R)-3- (3-fluorophenyl) bicyclo[3.1....) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H17FN6O2/c1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-14-6-12(7-15(14)17)11-3-2-4-13(22)5-11/h2-6,9-10,14-15,17H,7-8H2,1H3/t14-,15+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452941 (8-chloro-7-methyl-1- [[3-[(1R,5R,6S)-3- phenyl-6-b...) Show SMILES Cn1c(Cl)nc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:19| Show InChI InChI=1S/C21H17ClN6O2/c1-27-17-19(25-21(27)22)23-10-28(20(17)29)9-15-24-18(26-30-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452953 (2-[[3-[(1R,5R,6S)-3- phenyl-6-bicyclo [3.1.0]hex-2...) Show SMILES O=c1cccc2n1ccn(Cc1nc(no1)[C@H]1[C@@H]3CC(=C[C@H]13)c1ccccc1)c2=O |r,c:21| Show InChI InChI=1S/C23H18N4O3/c28-20-8-4-7-18-23(29)26(9-10-27(18)20)13-19-24-22(25-30-19)21-16-11-15(12-17(16)21)14-5-2-1-3-6-14/h1-11,16-17,21H,12-13H2/t16-,17+,21+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair

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