Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'del prete' and Initial = 'd'   

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 V member 1 (Homo sapiens (Human))	BDBM20461 ((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...) Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by caps...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20461 ((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...) Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 m...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50554642 (CHEMBL4800169) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccc(O)c(OC)c1 |r,t:15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by caps...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50103439 (CHEMBL3398239) Show SMILES CCCCCCCC\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C26H42N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-28-26(27-29-30)23-19-20-24(31)25(22-23)32-2/h10-11,19-20,22,31H,3-9,12-18,21H2,1-2H3/b11-10-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50103440 (CHEMBL3398238) Show SMILES CCCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26N4O2/c1-3-4-5-6-7-8-9-12-21-19-17(18-20-21)14-10-11-15(22)16(13-14)23-2/h10-11,13,22H,3-9,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM217379 (CDDO-Me, 2) Show SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20| Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50103441 (CHEMBL3398241) Show SMILES CCCCCC[C@H](C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C34H48N4O4/c1-3-4-5-16-21-30(42-33(40)26-28-19-14-13-15-20-28)22-17-11-9-7-6-8-10-12-18-25-38-36-34(35-37-38)29-23-24-31(39)32(27-29)41-2/h11,13-15,17,19-20,23-24,27,30,39H,3-10,12,16,18,21-22,25-26H2,1-2H3/b17-11-/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50554641 (CHEMBL554265) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCc3ccc(O)c(OC)c3)[C@@]1(C)CC[C@H](O)C2(C)C |t:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by caps...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50103442 (CHEMBL3398240) Show SMILES CCCCCC[C@@H](O)C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C26H42N4O3/c1-3-4-5-13-16-23(31)17-14-11-9-7-6-8-10-12-15-20-30-28-26(27-29-30)22-18-19-24(32)25(21-22)33-2/h11,14,18-19,21,23,31-32H,3-10,12-13,15-17,20H2,1-2H3/b14-11-/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50335905 ((+)-(S)-ar-turmerone | CHEMBL1668333) Show SMILES [#6]-[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6])cc1 |r| Show InChI InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN gamma-induced STAT3 (unknown origin) activation in HeLa-STAT3-Luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 79: 267-73 (2016) Article DOI: 10.1021/acs.jnatprod.5b00637 BindingDB Entry DOI: 10.7270/Q2DR2XD7
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456769 (CHEMBL4211797) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C32H45NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,17,22-24H,10-16,18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456770 (CHEMBL4208824) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccc(OC)cc1)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C38H52O4/c1-33(2)18-20-38(32(40)42-9)21-19-36(6)27(28(38)23-33)14-15-30-35(5)22-26(24-10-12-25(41-8)13-11-24)31(39)34(3,4)29(35)16-17-37(30,36)7/h10-14,22,28-30H,15-21,23H2,1-9H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456760 (CHEMBL4205263) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456755 (CHEMBL4212101) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(I)=C[C@]21C)C(=O)OC |r,c:33,t:15| Show InChI InChI=1S/C31H45IO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456758 (CHEMBL1631518) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15| Show InChI InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456757 (CHEMBL4209008) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)c1ccc(cc1)C#N)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456763 (CHEMBL4210989) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22| Show InChI InChI=1S/C33H48O5/c1-20(34)38-23-19-30(6)24(29(4,5)26(23)35)12-13-32(8)25(30)11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,32)7/h10,19,22,24-25H,11-18H2,1-9H3/t22-,24-,25+,30-,31+,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456764 (CHEMBL4218752) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4cnoc4C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15| Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-33-36-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456766 (CHEMBL4209967) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(\C=C\C(=O)OCC)=C[C@]21C)C(=O)OC |r,c:39,t:15| Show InChI InChI=1S/C36H52O5/c1-10-41-28(37)14-11-23-21-33(6)26(32(4,5)29(23)38)15-16-35(8)27(33)13-12-24-25-22-31(2,3)17-19-36(25,30(39)40-9)20-18-34(24,35)7/h11-12,14,21,25-27H,10,13,15-20,22H2,1-9H3/b14-11+/t25-,26-,27+,33-,34+,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456761 (CHEMBL4213753) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#Cc1ccccc1)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C39H50O3/c1-34(2)20-22-39(33(41)42-8)23-21-37(6)28(29(39)25-34)16-17-31-36(5)24-27(15-14-26-12-10-9-11-13-26)32(40)35(3,4)30(36)18-19-38(31,37)7/h9-13,16,24,29-31H,17-23,25H2,1-8H3/t29-,30-,31+,36-,37+,38+,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456759 (CHEMBL4215902) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(Br)=C[C@]21C)C(=O)OC |r,c:33,t:15| Show InChI InChI=1S/C31H45BrO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456765 (CHEMBL1915188) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C31H46O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,12-13,21-23H,10-11,14-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456756 (CHEMBL4214981) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C#N)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25| Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456767 (CHEMBL4211445) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C=O)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25| Show InChI InChI=1S/C32H48O4/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456762 (CHEMBL4215072) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22| Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50456768 (CHEMBL4211885) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C(O)=O)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C32H46O5/c1-27(2)13-15-32(26(36)37-8)16-14-30(6)20(21(32)18-27)9-10-23-29(5)17-19(25(34)35)24(33)28(3,4)22(29)11-12-31(23,30)7/h9,17,21-23H,10-16,18H2,1-8H3,(H,34,35)/t21-,22-,23+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50103440 (CHEMBL3398238) Show SMILES CCCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H26N4O2/c1-3-4-5-6-7-8-9-12-21-19-17(18-20-21)14-10-11-15(22)16(13-14)23-2/h10-11,13,22H,3-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 m...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50103442 (CHEMBL3398240) Show SMILES CCCCCC[C@@H](O)C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C26H42N4O3/c1-3-4-5-13-16-23(31)17-14-11-9-7-6-8-10-12-15-20-30-28-26(27-29-30)22-18-19-24(32)25(21-22)33-2/h11,14,18-19,21,23,31-32H,3-10,12-13,15-17,20H2,1-2H3/b14-11-/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 m...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50203072 (3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...) Show SMILES C=CCN=C=S Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50103441 (CHEMBL3398241) Show SMILES CCCCCC[C@H](C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C34H48N4O4/c1-3-4-5-16-21-30(42-33(40)26-28-19-14-13-15-20-28)22-17-11-9-7-6-8-10-12-18-25-38-36-34(35-37-38)29-23-24-31(39)32(27-29)41-2/h11,13-15,17,19-20,23-24,27,30,39H,3-10,12,16,18,21-22,25-26H2,1-2H3/b17-11-/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 m...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50103439 (CHEMBL3398239) Show SMILES CCCCCCCC\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C26H42N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-28-26(27-29-30)23-19-20-24(31)25(22-23)32-2/h10-11,19-20,22,31H,3-9,12-18,21H2,1-2H3/b11-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 m...				Bioorg Med Chem Lett 25: 1009-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.039 BindingDB Entry DOI: 10.7270/Q2VD717Q
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50554642 (CHEMBL4800169) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccc(O)c(OC)c1 |r,t:15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye b...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50554641 (CHEMBL554265) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCc3ccc(O)c(OC)c3)[C@@]1(C)CC[C@H](O)C2(C)C |t:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye b...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20461 ((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...) Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye b...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00639 BindingDB Entry DOI: 10.7270/Q2D22286
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456768 (CHEMBL4211885) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C(O)=O)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C32H46O5/c1-27(2)13-15-32(26(36)37-8)16-14-30(6)20(21(32)18-27)9-10-23-29(5)17-19(25(34)35)24(33)28(3,4)22(29)11-12-31(23,30)7/h9,17,21-23H,10-16,18H2,1-8H3,(H,34,35)/t21-,22-,23+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456755 (CHEMBL4212101) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(I)=C[C@]21C)C(=O)OC |r,c:33,t:15| Show InChI InChI=1S/C31H45IO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456767 (CHEMBL4211445) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C=O)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25| Show InChI InChI=1S/C32H48O4/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456770 (CHEMBL4208824) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccc(OC)cc1)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C38H52O4/c1-33(2)18-20-38(32(40)42-9)21-19-36(6)27(28(38)23-33)14-15-30-35(5)22-26(24-10-12-25(41-8)13-11-24)31(39)34(3,4)29(35)16-17-37(30,36)7/h10-14,22,28-30H,15-21,23H2,1-9H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM217379 (CDDO-Me, 2) Show SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20| Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456769 (CHEMBL4211797) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C32H45NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,17,22-24H,10-16,18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456764 (CHEMBL4218752) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4cnoc4C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15| Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-33-36-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456766 (CHEMBL4209967) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(\C=C\C(=O)OCC)=C[C@]21C)C(=O)OC |r,c:39,t:15| Show InChI InChI=1S/C36H52O5/c1-10-41-28(37)14-11-23-21-33(6)26(32(4,5)29(23)38)15-16-35(8)27(33)13-12-24-25-22-31(2,3)17-19-36(25,30(39)40-9)20-18-34(24,35)7/h11-12,14,21,25-27H,10,13,15-20,22H2,1-9H3/b14-11+/t25-,26-,27+,33-,34+,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456765 (CHEMBL1915188) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C31H46O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,12-13,21-23H,10-11,14-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456763 (CHEMBL4210989) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22| Show InChI InChI=1S/C33H48O5/c1-20(34)38-23-19-30(6)24(29(4,5)26(23)35)12-13-32(8)25(30)11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,32)7/h10,19,22,24-25H,11-18H2,1-9H3/t22-,24-,25+,30-,31+,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456762 (CHEMBL4215072) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22| Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456761 (CHEMBL4213753) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#Cc1ccccc1)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C39H50O3/c1-34(2)20-22-39(33(41)42-8)23-21-37(6)28(29(39)25-34)16-17-31-36(5)24-27(15-14-26-12-10-9-11-13-26)32(40)35(3,4)30(36)18-19-38(31,37)7/h9-13,16,24,29-31H,17-23,25H2,1-8H3/t29-,30-,31+,36-,37+,38+,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456760 (CHEMBL4205263) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456757 (CHEMBL4209008) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)c1ccc(cc1)C#N)C(=O)OC |r,c:32,t:15| Show InChI InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50456759 (CHEMBL4215902) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(Br)=C[C@]21C)C(=O)OC |r,c:33,t:15| Show InChI InChI=1S/C31H45BrO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
					More data for this Ligand-Target Pair

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