Compile Data Set for Download or QSAR

Found 1689 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1'   

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))	BDBM50318511 (CHEMBL1085100 | dibenzo[b,f][1,4]oxazepine) Show SMILES O1c2ccccc2C=Nc2ccccc12 Show InChI InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...				J Med Chem 53: 7011-20 (2010) Article DOI: 10.1021/jm100477n BindingDB Entry DOI: 10.7270/Q2474B2T
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361670 (US10221177, Compound 33) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O Show InChI InChI=1/C26H28N8O4S/c1-4-18(35)11-33-25(37)21-22(31(3)26(33)38)28-13-34(21)14(2)23(36)29-19-12-39-24(30-19)15-5-6-20(27-8-15)32-9-16-7-17(16)10-32/h5-6,8,12-14,16-17H,4,7,9-11H2,1-3H3,(H,29,36)/t14-,16?,17?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361671 (US10221177, Compound 34) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C23H22N10O3S/c1-12(33-11-27-18-17(33)21(35)32(4-3-24)23(36)30(18)2)19(34)28-16-10-37-20(29-16)15-6-25-22(26-7-15)31-8-13-5-14(13)9-31/h6-7,10-14H,4-5,8-9H2,1-2H3,(H,28,34)/t12-,13?,14?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50193602 (CHEMBL3907685) Show SMILES OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccccc1)C(F)(F)F Show InChI InChI=1/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of cinnamaldehyde-activated full length human TRPA1 channel expressed in 293T-Rex cells monitored at 5 sec interval by manual patch clamp ...				ACS Med Chem Lett 7: 658-9 (2016) Article DOI: 10.1021/acsmedchemlett.6b00245 BindingDB Entry DOI: 10.7270/Q2NS0WVD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361868 (US10221177, Compound 241) Show SMILES Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1 Show InChI InChI=1S/C24H20F3N9O4/c1-12-15(24(25,26)27)7-14(8-28-12)16-5-4-6-17(31-16)32-18(37)9-35-11-29-21-20(35)22(38)36(23(39)34(21)3)10-19-30-13(2)33-40-19/h4-8,11H,9-10H2,1-3H3,(H,31,32,37)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361872 (US10221177, Compound 246) Show SMILES Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1 Show InChI InChI=1S/C23H19F3N8O4S/c1-11-4-14(31-38-11)7-34-21(36)18-19(32(3)22(34)37)28-10-33(18)8-17(35)29-16-9-39-20(30-16)13-5-15(23(24,25)26)12(2)27-6-13/h4-6,9-10H,7-8H2,1-3H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361878 (US10221177, Compound 252) Show SMILES Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1 Show InChI InChI=1S/C22H18F3N9O4S/c1-10-13(22(23,24)25)4-12(5-26-10)19-30-14(8-39-19)29-15(35)6-33-9-27-18-17(33)20(36)34(21(37)32(18)3)7-16-28-11(2)31-38-16/h4-5,8-9H,6-7H2,1-3H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361888 (US10221177, Compound 262) Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O Show InChI InChI=1/C26H24F2N8O3S/c1-4-5-8-35-24(38)20-21(33(3)25(35)39)30-13-36(20)14(2)22(37)31-18-12-40-23(32-18)15-6-7-19(29-9-15)34-10-16-17(11-34)26(16,27)28/h6-7,9,12-14,16-17H,8,10-11H2,1-3H3,(H,31,37)/t14-,16?,17?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361894 (US10221177, Compound 268) Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O Show InChI InChI=1/C25H24F3N9O3S/c1-4-5-8-36-22(39)18-19(34(3)24(36)40)31-13-37(18)14(2)20(38)32-17-12-41-21(33-17)15-10-29-23(30-11-15)35-9-6-7-16(35)25(26,27)28/h10-14,16H,6-9H2,1-3H3,(H,32,38)/t14-,16-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361651 (US10221177, Compound 14 | US10221177, Compound 270) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O Show InChI InChI=1/C25H27N9O4S/c1-4-17(35)10-33-23(37)19-20(31(3)25(33)38)28-12-34(19)13(2)21(36)29-18-11-39-22(30-18)16-6-26-24(27-7-16)32-8-14-5-15(14)9-32/h6-7,11-15H,4-5,8-10H2,1-3H3,(H,29,36)/t13-,14?,15?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361655 (US10221177, Compound 18) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O Show InChI InChI=1/C25H26F3N9O4S/c1-4-15(38)10-36-22(40)18-19(34(3)24(36)41)31-12-37(18)13(2)20(39)32-17-11-42-21(33-17)14-8-29-23(30-9-14)35-7-5-6-16(35)25(26,27)28/h8-9,11-13,16H,4-7,10H2,1-3H3,(H,32,39)/t13-,16-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361656 (US10221177, Compound 19) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(Cl)c(Cl)c3)c2c1=O Show InChI InChI=1/C22H20Cl2N6O4S/c1-4-13(31)8-29-21(33)17-18(28(3)22(29)34)25-10-30(17)11(2)19(32)26-16-9-35-20(27-16)12-5-6-14(23)15(24)7-12/h5-7,9-11H,4,8H2,1-3H3,(H,26,32)/t11-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361663 (US10221177, Compound 26) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O Show InChI InChI=1/C27H27F2N9O4/c1-4-16(39)10-37-24(41)21-22(35(3)26(37)42)32-13-38(21)14(2)23(40)34-20-7-5-6-19(33-20)15-8-30-25(31-9-15)36-11-17-18(12-36)27(17,28)29/h5-9,13-14,17-18H,4,10-12H2,1-3H3,(H,33,34,40)/t14-,17?,18?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361665 (US10221177, Compound 28) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C23H21F3N10O3S/c1-12(36-11-30-17-16(36)20(38)35(7-5-27)22(39)33(17)2)18(37)31-15-10-40-19(32-15)13-8-28-21(29-9-13)34-6-3-4-14(34)23(24,25)26/h8-12,14H,3-4,6-7H2,1-2H3,(H,31,37)/t12-,14-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361666 (US10221177, Compound 29) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C20H15Cl2N7O3S/c1-10(29-9-24-16-15(29)19(31)28(6-5-23)20(32)27(16)2)17(30)25-14-8-33-18(26-14)11-3-4-12(21)13(22)7-11/h3-4,7-10H,6H2,1-2H3,(H,25,30)/t10-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361792 (US10221177, Compound 157) Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@@H]3C(F)(F)F)c2c1=O Show InChI InChI=1/C25H24F3N9O3S/c1-4-5-8-36-22(39)18-19(34(3)24(36)40)31-13-37(18)14(2)20(38)32-17-12-41-21(33-17)15-10-29-23(30-11-15)35-9-6-7-16(35)25(26,27)28/h10-14,16H,6-9H2,1-3H3,(H,32,38)/t14-,16+/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361717 (US10221177, Compound 80) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O Show InChI InChI=1/C26H26F2N8O4S/c1-4-15(37)8-35-24(39)20-21(33(3)25(35)40)30-12-36(20)13(2)22(38)31-18-11-41-23(32-18)14-5-6-19(29-7-14)34-9-16-17(10-34)26(16,27)28/h5-7,11-13,16-17H,4,8-10H2,1-3H3,(H,31,38)/t13-,16?,17?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361736 (US10221177, Compound 99) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O Show InChI InChI=1/C23H22F3N7O4S/c1-5-14(34)8-32-21(36)17-18(31(4)22(32)37)28-10-33(17)12(3)19(35)29-16-9-38-20(30-16)13-6-15(23(24,25)26)11(2)27-7-13/h6-7,9-10,12H,5,8H2,1-4H3,(H,29,35)/t12-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361744 (US10221177, Compound 107 | US10221177, Compound 10...) Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 Show InChI InChI=1/C13H15N7O4/c1-6(10(14)21)20-5-15-11-9(20)12(22)19(13(23)18(11)3)4-8-16-7(2)17-24-8/h5-6H,4H2,1-3H3,(H2,14,21)/t6-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361744 (US10221177, Compound 107 | US10221177, Compound 10...) Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 Show InChI InChI=1/C13H15N7O4/c1-6(10(14)21)20-5-15-11-9(20)12(22)19(13(23)18(11)3)4-8-16-7(2)17-24-8/h5-6H,4H2,1-3H3,(H2,14,21)/t6-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361747 (US10221177, Compound 110) Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 Show InChI InChI=1/C25H22F3N9O4/c1-12-7-16(34-41-12)10-36-23(39)19-21(35(4)24(36)40)31-11-37(19)14(3)22(38)33-18-5-6-29-20(32-18)15-8-17(25(26,27)28)13(2)30-9-15/h5-9,11,14H,10H2,1-4H3,(H,29,32,33,38)/t14-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361749 (US10221177, Compound 112) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 Show InChI InChI=1/C24H21F3N8O4S/c1-11-5-15(32-39-11)8-34-22(37)18-19(33(4)23(34)38)29-10-35(18)13(3)20(36)30-17-9-40-21(31-17)14-6-16(24(25,26)27)12(2)28-7-14/h5-7,9-10,13H,8H2,1-4H3,(H,30,36)/t13-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361752 (US10221177, Compound 115) Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 Show InChI InChI=1/C28H27F3N10O4/c1-15-10-18(37-45-15)13-40-25(43)22-23(38(3)27(40)44)34-14-41(22)16(2)24(42)36-21-8-4-6-19(35-21)17-11-32-26(33-12-17)39-9-5-7-20(39)28(29,30)31/h4,6,8,10-12,14,16,20H,5,7,9,13H2,1-3H3,(H,35,36,42)/t16-,20-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361758 (US10221177, Compound 121) Show SMILES COc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 Show InChI InChI=1/C26H23F3N8O5/c1-13-8-16(34-42-13)11-36-24(39)20-21(35(3)25(36)40)31-12-37(20)14(2)22(38)33-19-7-5-6-18(32-19)15-9-17(26(27,28)29)23(41-4)30-10-15/h5-10,12,14H,11H2,1-4H3,(H,32,33,38)/t14-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361759 (US10221177, Compound 122) Show SMILES CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 Show InChI InChI=1/C27H25F3N8O5/c1-5-42-24-18(27(28,29)30)10-16(11-31-24)19-7-6-8-20(33-19)34-23(39)15(3)38-13-32-22-21(38)25(40)37(26(41)36(22)4)12-17-9-14(2)43-35-17/h6-11,13,15H,5,12H2,1-4H3,(H,33,34,39)/t15-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361761 (US10221177, Compound 124) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(OC)c(c3)C(F)(F)F)c2c1=O Show InChI InChI=1/C25H24F3N7O5/c1-5-15(36)11-34-23(38)19-20(33(3)24(34)39)30-12-35(19)13(2)21(37)32-18-8-6-7-17(31-18)14-9-16(25(26,27)28)22(40-4)29-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,31,32,37)/t13-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361762 (US10221177, Compound 125) Show SMILES CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(CC(=O)CC)c(=O)c23)n1 Show InChI InChI=1/C26H26F3N7O5/c1-5-16(37)12-35-24(39)20-21(34(4)25(35)40)31-13-36(20)14(3)22(38)33-19-9-7-8-18(32-19)15-10-17(26(27,28)29)23(30-11-15)41-6-2/h7-11,13-14H,5-6,12H2,1-4H3,(H,32,33,38)/t14-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361763 (US10221177, Compound 126) Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 Show InChI InChI=1/C26H23F3N8O4/c1-13-8-17(34-41-13)11-36-24(39)21-22(35(4)25(36)40)31-12-37(21)15(3)23(38)33-20-7-5-6-19(32-20)16-9-18(26(27,28)29)14(2)30-10-16/h5-10,12,15H,11H2,1-4H3,(H,32,33,38)/t15-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM191653 (US9186360, 57) Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H15Cl2F3N4O5S/c1-29-17(32)15-10(6-34-18(15)30(2)20(29)33)5-14(31)28-19-27-13(7-36-19)9-3-11(22)16(12(23)4-9)35-8-21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H,27,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM60874 (US9186360, 62) Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H17F5N4O5S/c1-9-11(16-18(33)30(2)21(34)31(3)19(16)36-9)6-15(32)29-20-28-14(7-37-20)10-4-12(23)17(13(24)5-10)35-8-22(25,26)27/h4-5,7H,6,8H2,1-3H3,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.68	n/a	n/a	n/a	n/a	n/a	25
GLENMARK PHARMACEUTICALS S.A. US Patent					Assay Description The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...				US Patent US9186360 (2015) BindingDB Entry DOI: 10.7270/Q2TX3D5Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361673 (US10221177, Compound 36) Show SMILES CCN(CC)c1ncc(cn1)-c1nc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)cs1 Show InChI InChI=1/C25H28N10O4S/c1-6-33(7-2)24-26-9-16(10-27-24)22-30-18(12-40-22)29-21(36)15(4)35-13-28-20-19(35)23(37)34(25(38)32(20)5)11-17-8-14(3)39-31-17/h8-10,12-13,15H,6-7,11H2,1-5H3,(H,29,36)/t15-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361694 (US10221177, Compound 57) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O Show InChI InChI=1/C25H25F2N9O4S/c1-4-14(37)7-35-22(39)18-19(33(3)24(35)40)30-11-36(18)12(2)20(38)31-17-10-41-21(32-17)13-5-28-23(29-6-13)34-8-15-16(9-34)25(15,26)27/h5-6,10-12,15-16H,4,7-9H2,1-3H3,(H,31,38)/t12-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50193601 (CHEMBL3903533) Show SMILES OC1(CCN(CC1)C(CNC(=O)C1(CC1)c1ccc(Cl)cc1)Cc1ccc(F)cc1)C(F)(F)F Show InChI InChI=1/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of cinnamaldehyde-activated full length human TRPA1 channel expressed in 293T-Rex cells monitored at 5 sec interval by manual patch clamp ...				ACS Med Chem Lett 7: 658-9 (2016) Article DOI: 10.1021/acsmedchemlett.6b00245 BindingDB Entry DOI: 10.7270/Q2NS0WVD
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361648 (US10221177, Compound 11 | US10221177, Compound 149) Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C25H24N10O3/c1-14(35-13-29-21-20(35)23(37)34(7-6-26)25(38)32(21)2)22(36)31-19-5-3-4-18(30-19)17-9-27-24(28-10-17)33-11-15-8-16(15)12-33/h3-5,9-10,13-16H,7-8,11-12H2,1-2H3,(H,30,31,36)/t14-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361781 (US10221177, Compound 145) Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O Show InChI InChI=1/C25H25N9O3S/c1-4-5-6-33-23(36)19-20(31(3)25(33)37)28-13-34(19)14(2)21(35)29-18-12-38-22(30-18)17-8-26-24(27-9-17)32-10-15-7-16(15)11-32/h8-9,12-16H,6-7,10-11H2,1-3H3,(H,29,35)/t14-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361695 (US10221177, Compound 58) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C23H20F2N10O3S/c1-11(35-10-29-17-16(35)20(37)34(4-3-26)22(38)32(17)2)18(36)30-15-9-39-19(31-15)12-5-27-21(28-6-12)33-7-13-14(8-33)23(13,24)25/h5-6,9-11,13-14H,4,7-8H2,1-2H3,(H,30,36)/t11-,13?,14?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361700 (US10221177, Compound 63) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 Show InChI InChI=1/C25H26N8O4S/c1-13(34)8-32-24(36)20-21(30(3)25(32)37)27-12-33(20)14(2)22(35)28-18-11-38-23(29-18)15-4-5-19(26-7-15)31-9-16-6-17(16)10-31/h4-5,7,11-12,14,16-17H,6,8-10H2,1-3H3,(H,28,35)/t14-,16?,17?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361701 (US10221177, Compound 64) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C24H23N9O3S/c1-13(33-12-27-20-19(33)23(35)32(6-5-25)24(36)30(20)2)21(34)28-17-11-37-22(29-17)14-3-4-18(26-8-14)31-9-15-7-16(15)10-31/h3-4,8,11-13,15-16H,6-7,9-10H2,1-2H3,(H,28,34)/t13-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361703 (US10221177, Compound 66) Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C26H23F2N9O3/c1-14(37-13-31-22-21(37)24(39)36(9-8-29)25(40)34(22)2)23(38)33-19-5-3-4-18(32-19)15-6-7-20(30-10-15)35-11-16-17(12-35)26(16,27)28/h3-7,10,13-14,16-17H,9,11-12H2,1-2H3,(H,32,33,38)/t14-,16?,17?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361714 (US10221177, Compound 77) Show SMILES C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 Show InChI InChI=1/C25H22F2N10O3/c1-13(37-12-31-21-20(37)23(39)36(6-5-28)24(40)34(21)2)22(38)33-18-9-29-8-17(32-18)14-3-4-19(30-7-14)35-10-15-16(11-35)25(15,26)27/h3-4,7-9,12-13,15-16H,6,10-11H2,1-2H3,(H,32,33,38)/t13-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361862 (US10221177, Compound 235) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O Show InChI InChI=1S/C24H22F3N7O4/c1-4-15(35)10-34-22(37)20-21(32(3)23(34)38)29-12-33(20)11-19(36)31-18-7-5-6-17(30-18)14-8-16(24(25,26)27)13(2)28-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,30,31,36)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361873 (US10221177, Compound 247) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O Show InChI InChI=1S/C22H20F3N7O4S/c1-4-13(33)7-32-20(35)17-18(30(3)21(32)36)27-10-31(17)8-16(34)28-15-9-37-19(29-15)12-5-14(22(23,24)25)11(2)26-6-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361893 (US10221177, Compound 267) Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O Show InChI InChI=1/C25H23F2N9O3S/c1-4-5-6-35-22(38)18-19(33(3)24(35)39)30-12-36(18)13(2)20(37)31-17-11-40-21(32-17)14-7-28-23(29-8-14)34-9-15-16(10-34)25(15,26)27/h7-8,11-13,15-16H,6,9-10H2,1-3H3,(H,31,37)/t13-,15?,16?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361653 (US10221177, Compound 16) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 Show InChI InChI=1/C24H24F3N9O4S/c1-12(37)9-35-21(39)17-18(33(3)23(35)40)30-11-36(17)13(2)19(38)31-16-10-41-20(32-16)14-7-28-22(29-8-14)34-6-4-5-15(34)24(25,26)27/h7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,31,38)/t13-,15-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361657 (US10221177, Compound 20) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 Show InChI InChI=1/C21H18Cl2N6O4S/c1-10(30)7-28-20(32)16-17(27(3)21(28)33)24-9-29(16)11(2)18(31)25-15-8-34-19(26-15)12-4-5-13(22)14(23)6-12/h4-6,8-9,11H,7H2,1-3H3,(H,25,31)/t11-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361664 (US10221177, Compound 27) Show SMILES CCN(CC)c1ncc(cn1)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 Show InChI InChI=1/C27H30N10O4/c1-6-35(7-2)26-28-12-18(13-29-26)20-9-8-10-21(31-20)32-24(38)17(4)37-15-30-23-22(37)25(39)36(27(40)34(23)5)14-19-11-16(3)41-33-19/h8-13,15,17H,6-7,14H2,1-5H3,(H,31,32,38)/t17-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361788 (US10221177, Compound 153) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 Show InChI InChI=1/C24H25N9O4S/c1-12(34)7-32-22(36)18-19(30(3)24(32)37)27-11-33(18)13(2)20(35)28-17-10-38-21(29-17)16-5-25-23(26-6-16)31-8-14-4-15(14)9-31/h5-6,10-11,13-15H,4,7-9H2,1-3H3,(H,28,35)/t13-,14?,15?/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361798 (US10221177, Compound 163) Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 Show InChI InChI=1/C23H20F3N9O4S/c1-10-14(23(24,25)26)5-13(6-27-10)20-31-16(8-40-20)30-19(36)11(2)35-9-28-18-17(35)21(37)34(22(38)33(18)4)7-15-29-12(3)39-32-15/h5-6,8-9,11H,7H2,1-4H3,(H,30,36)/t11-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361807 (US10221177, Compound 172) Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 Show InChI InChI=1/C24H21F3N10O4/c1-11-15(24(25,26)27)7-14(8-29-11)19-28-6-5-16(32-19)33-21(38)12(2)37-10-30-20-18(37)22(39)36(23(40)35(20)4)9-17-31-13(3)41-34-17/h5-8,10,12H,9H2,1-4H3,(H,28,32,33,38)/t12-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361822 (US10221177, Compound 189) Show SMILES Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c(=O)n(Cc2ccccn2)c1=O Show InChI InChI=1/C28H25F3N10O3/c1-38-24-23(25(43)41(27(38)44)14-18-6-2-3-10-32-18)39(16-35-24)15-22(42)37-21-9-4-7-19(36-21)17-12-33-26(34-13-17)40-11-5-8-20(40)28(29,30)31/h2-4,6-7,9-10,12-13,16,20H,5,8,11,14-15H2,1H3,(H,36,37,42)/t20-/s2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hydra Biosciences, Inc. US Patent					Assay Description Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...				US Patent US10221177 (2019) Article DOI: 10.1021/jm701079h
					More data for this Ligand-Target Pair

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