Compile Data Set for Download or QSAR

Found 261 hits Enz. Inhib. hit(s) with all data for entry = 2323   

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))	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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					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 |r| Show InChI InChI=1S/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?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361766 (US10221177, Compound 129) 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 |r| Show InChI InChI=1S/C26H23F3N8O4/c1-13-8-16(10-30-21(13)26(27,28)29)18-6-5-7-19(32-18)33-23(38)15(3)37-12-31-22-20(37)24(39)36(25(40)35(22)4)11-17-9-14(2)41-34-17/h5-10,12,15H,11H2,1-4H3,(H,32,33,38)/t15-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361760 (US10221177, Compound 123) Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(Cl)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r| Show InChI InChI=1S/C25H20ClF3N8O4/c1-12-7-15(34-41-12)10-36-23(39)19-21(35(3)24(36)40)31-11-37(19)13(2)22(38)33-18-6-4-5-17(32-18)14-8-16(25(27,28)29)20(26)30-9-14/h4-9,11,13H,10H2,1-3H3,(H,32,33,38)/t13-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361751 (US10221177, Compound 114) Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r| Show InChI InChI=1S/C27H26F3N11O4/c1-14-9-17(37-45-14)12-40-24(43)20-22(38(3)26(40)44)34-13-41(20)15(2)23(42)36-19-6-7-31-21(35-19)16-10-32-25(33-11-16)39-8-4-5-18(39)27(28,29)30/h6-7,9-11,13,15,18H,4-5,8,12H2,1-3H3,(H,31,35,36,42)/t15-,18-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361750 (US10221177, Compound 113) Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(cn3)N3CC4CC4C3)c2c1=O |r| Show InChI InChI=1S/C27H29N9O4/c1-4-18(37)13-35-26(39)23-24(33(3)27(35)40)30-14-36(23)15(2)25(38)32-21-7-5-6-19(31-21)20-9-29-22(10-28-20)34-11-16-8-17(16)12-34/h5-7,9-10,14-17H,4,8,11-13H2,1-3H3,(H,31,32,38)/t15-,16?,17?/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361733 (US10221177, Compound 96) Show SMILES C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r| Show InChI InChI=1S/C27H26F3N11O4/c1-14-7-17(37-45-14)12-40-24(43)21-22(38(3)26(40)44)34-13-41(21)15(2)23(42)36-20-11-31-10-18(35-20)16-8-32-25(33-9-16)39-6-4-5-19(39)27(28,29)30/h7-11,13,15,19H,4-6,12H2,1-3H3,(H,35,36,42)/t15-,19-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM361644 (US10221177, Compound 7 | US10221177, Compound 91) Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r| Show InChI InChI=1S/C14H16N6O4/c1-7-4-9(17-24-7)5-19-13(22)10-12(18(3)14(19)23)16-6-20(10)8(2)11(15)21/h4,6,8H,5H2,1-3H3,(H2,15,21)/t8-/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
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) BindingDB Entry DOI: 10.7270/Q2445PR8
					More data for this Ligand-Target Pair

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