Compile Data Set for Download or QSAR

Found 864 hits with Last Name = 'beaumier' and Initial = 'f'   

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))	BDBM452629 (7-bromo-5-methyl-3-[[3- [rac-(3R,5R)-5-(4- chlorop...) Show SMILES Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H16BrClN6O3/c1-10-16-18(28)26(9-22-27(16)19(20)23-10)7-15-24-17(25-30-15)12-6-14(29-8-12)11-2-4-13(21)5-3-11/h2-5,9,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452561 (5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C20H18ClN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452526 (2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...) Show SMILES Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18ClN7O3/c1-10-7-22-27-16(10)18(28)26(19(21)24-27)8-15-23-17(25-30-15)12-6-14(29-9-12)11-2-4-13(20)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,21,24)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452570 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetra- hydrofura...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-11-7-21-26-17(11)19(27)25(10-22-26)8-16-23-18(24-29-16)13-6-15(28-9-13)12-2-4-14(20)5-3-12/h2-5,7,10,13,15H,6,8-9H2,1H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452629 (7-bromo-5-methyl-3-[[3- [rac-(3R,5R)-5-(4- chlorop...) Show SMILES Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H16BrClN6O3/c1-10-16-18(28)26(9-22-27(16)19(20)23-10)7-15-24-17(25-30-15)12-6-14(29-8-12)11-2-4-13(21)5-3-11/h2-5,9,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452523 (1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452523 (1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452589 (3-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- fura...) Show SMILES Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18FN5O3/c1-12-7-23-8-16-19(12)21(28)27(11-24-16)9-18-25-20(26-30-18)14-6-17(29-10-14)13-2-4-15(22)5-3-13/h2-5,7-8,11,14,17H,6,9-10H2,1H3/t14-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452570 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetra- hydrofura...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-11-7-21-26-17(11)19(27)25(10-22-26)8-16-23-18(24-29-16)13-6-15(28-9-13)12-2-4-14(20)5-3-12/h2-5,7,10,13,15H,6,8-9H2,1H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452525 (2-amino-3-((3-((3R,5R)- 5-(4- fluorophenyl)tetrahy...) Show SMILES Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18FN7O3/c1-10-7-22-27-16(10)18(28)26(19(21)24-27)8-15-23-17(25-30-15)12-6-14(29-9-12)11-2-4-13(20)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,21,24)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452566 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-7-23-8-16-19(12)21(28)27(11-24-16)9-18-25-20(26-30-18)14-6-17(29-10-14)13-2-4-15(22)5-3-13/h2-5,7-8,11,14,17H,6,9-10H2,1H3/t14-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452680 (5-amino-6-[[3-[rac- (3R,5R)-5-(4- chlorophenyl)tet...) Show SMILES Nc1nc2ncsc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H15ClN6O3S/c19-11-3-1-9(2-4-11)12-5-10(7-27-12)15-22-13(28-24-15)6-25-17(26)14-16(21-8-29-14)23-18(25)20/h1-4,8,10,12H,5-7H2,(H2,20,23)/t10-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452655 (2-amino-3-((3-((3R,5R)- 5-(4-fluorophenyl)tetra- h...) Show SMILES Cc1ccnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H19FN6O3/c1-11-6-7-24-19-17(11)20(29)28(21(23)26-19)9-16-25-18(27-31-16)13-8-15(30-10-13)12-2-4-14(22)5-3-12/h2-7,13,15H,8-10H2,1H3,(H2,23,24,26)/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452593 (2-amino-1-((3-((3R,5R)- 5-(4-chlorophenyl) tetrahy...) Show SMILES Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18ClN7O3/c1-26-9-22-17-15(26)18(28)27(19(21)24-17)7-14-23-16(25-30-14)11-6-13(29-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H2,21,24)/t11-,13+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
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))	BDBM452657 (2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...) Show SMILES Cc1ccnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H19ClN6O3/c1-11-6-7-24-19-17(11)20(29)28(21(23)26-19)9-16-25-18(27-31-16)13-8-15(30-10-13)12-2-4-14(22)5-3-12/h2-7,13,15H,8-10H2,1H3,(H2,23,24,26)/t13-,15+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452588 (3-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- fura...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17FN6O3/c1-11-7-21-26-17(11)19(27)25(10-22-26)8-16-23-18(24-29-16)13-6-15(28-9-13)12-2-4-14(20)5-3-12/h2-5,7,10,13,15H,6,8-9H2,1H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452672 (5-amino-6-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...) Show SMILES Cn1ncc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18ClN7O3/c1-26-16-13(7-22-26)23-19(21)27(18(16)28)8-15-24-17(25-30-15)11-6-14(29-9-11)10-2-4-12(20)5-3-10/h2-5,7,11,14H,6,8-9H2,1H3,(H2,21,23)/t11-,14+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM452551 (1-((3-((3R,5R)-5-(4- bromophenyl)tetra- hydrofuran...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Br)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17BrN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452675 (1-methyl-6-[[3-[rac- (3R,5R)-5-(4- chlorophenyl)te...) Show SMILES Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)oc1=O |r| Show InChI InChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452578 (5-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C20H18FN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452554 (1-((3-((3R,5R)-5-(4- chloro-3- fluorophenyl)tetrah...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)c(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C19H16ClFN6O3/c1-26-8-22-18-16(26)19(28)27(9-23-18)6-15-24-17(25-30-15)11-5-14(29-7-11)10-2-3-12(20)13(21)4-10/h2-4,8-9,11,14H,5-7H2,1H3/t11-,14+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM452583 (5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1nnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-25-17-14(22-24-25)6-7-26(19(17)27)9-16-21-18(23-29-16)12-8-15(28-10-12)11-2-4-13(20)5-3-11/h2-7,12,15H,8-10H2,1H3/t12-,15+/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452678 (5-amino-1-methyl-6-[[3- [rac-(3R,5R)-5-(4- chlorop...) Show SMILES Cn1nnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C18H17ClN8O3/c1-26-14-16(23-25-26)22-18(20)27(17(14)28)7-13-21-15(24-30-13)10-6-12(29-8-10)9-2-4-11(19)5-3-9/h2-5,10,12H,6-8H2,1H3,(H2,20,22)/t10-,12+/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452671 (2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...) Show SMILES Nc1nn2c(ncc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H15ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13H,5,7-8H2,(H2,24,27)/t10-,13+/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452523 (1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452676 (5-amino-6-[[3-[rac- (3R,5R)-5-(4- fluorophenyl)tet...) Show SMILES Nc1nc2ncsc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H15FN6O3S/c19-11-3-1-9(2-4-11)12-5-10(7-27-12)15-22-13(28-24-15)6-25-17(26)14-16(21-8-29-14)23-18(25)20/h1-4,8,10,12H,5-7H2,(H2,20,23)/t10-,12+/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM452660 (5-methyl-3-((3- ((3R,5R)-5-(1-methyl- 1H-indazol-6...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4cnn(C)c4c3)c(=O)c12 |r| Show InChI InChI=1S/C21H20N8O3/c1-12-7-23-29-19(12)21(30)28(11-24-29)9-18-25-20(26-32-18)15-6-17(31-10-15)13-3-4-14-8-22-27(2)16(14)5-13/h3-5,7-8,11,15,17H,6,9-10H2,1-2H3/t15-,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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452604 (2-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ncn3c(cccc3=O)c2=O)n1 |r| Show InChI InChI=1S/C20H16ClN5O4/c21-14-6-4-12(5-7-14)16-8-13(10-29-16)19-23-17(30-24-19)9-26-20(28)15-2-1-3-18(27)25(15)11-22-26/h1-7,11,13,16H,8-10H2/t13-,16+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM452555 (7-methyl-1-((3- ((3R,5R)-5-(naphthalen- 2-yl)tetra...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r| Show InChI InChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM481835 (4-[3-[5-[(5-methyl-4-oxo- pyrido[2,3-d]pyrimidin-3...) Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-9.54,-2.78,;-9.54,-1.24,;-10.88,-.47,;-10.88,1.07,;-9.54,1.84,;-8.21,1.07,;-6.88,1.84,;-5.54,1.07,;-5.54,-.47,;-4.21,-1.24,;-2.87,-.47,;-1.47,-1.1,;-.44,.04,;1.09,-.12,;2.02,-1.35,;3.25,-.42,;2.32,.81,;4.78,-.63,;5.35,-2.06,;6.88,-2.27,;7.83,-1.06,;7.25,.37,;5.72,.58,;9.35,-1.27,;10.88,-1.49,;-1.21,1.38,;-.58,2.78,;-2.71,1.06,;-6.88,-1.24,;-6.88,-2.78,;-8.21,-.47,)| Show InChI InChI=1S/C22H18N6O3/c1-13-6-7-24-20-19(13)21(29)27(12-25-20)11-18-26-28(22(30)31-18)17-8-16(9-17)15-4-2-14(10-23)3-5-15/h2-7,12,16-17H,8-9,11H2,1H3/t16-,17-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58	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 and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...				US Patent US10913742 (2021) BindingDB Entry DOI: 10.7270/Q2X63R26
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452584 (2-amino-3-((3-((3R,5R)- 5-(4-chlorophenyl) tetrahy...) Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H17ClN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452538 (6-((3-((3R,5R)-5-(4- chlorophenyl)tetra- hydrofura...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C18H16ClN7O3/c1-25-15-17(22-24-25)20-9-26(18(15)27)7-14-21-16(23-29-14)11-6-13(28-8-11)10-2-4-12(19)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452585 (7-((3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- ...) Show SMILES Cc1cc(=O)nc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12 |r| Show InChI InChI=1S/C21H18ClN5O4/c1-12-8-18(28)23-17-6-7-26(21(29)27(12)17)10-19-24-20(25-31-19)14-9-16(30-11-14)13-2-4-15(22)5-3-13/h2-8,14,16H,9-11H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					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))	BDBM452649 (2-amino-3-((3-((3R,5R)- 5-(3-fluorophenyl) tetrahy...) Show SMILES Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cccc(F)c3)c(=O)c12 |r| Show InChI InChI=1S/C19H18FN7O3/c1-10-7-22-27-16(10)18(28)26(19(21)24-27)8-15-23-17(25-30-15)12-6-14(29-9-12)11-3-2-4-13(20)5-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,21,24)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452611 (2-amino-3-((3-((3R,5R)- 5-(4-fluorophenyl) tetrahy...) Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H17FN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452581 (1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=S)c12 |r| Show InChI InChI=1S/C19H17ClN6O2S/c1-25-9-21-18-16(25)19(29)26(10-22-18)7-15-23-17(24-28-15)12-6-14(27-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/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 US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 864 total )  |  Next  |  Last  >>

Jump to: