Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50036434   

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 (Rattus norvegicus (rat))	BDBM50366620 (RESINIFERATOXIN) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50366620 (RESINIFERATOXIN) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052327 (6-hydroxy-15-isopropenyl-4,13,17-trimethyl-5-oxo-(...) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)c2ccccc2)ccc1O |t:10,27,THB:35:15:12:17.19.18,16:15:12:17.19.18| Show InChI InChI=1S/C36H38O9/c1-20(2)34-17-22(4)35-26(32(34)43-36(44-34,45-35)25-9-7-6-8-10-25)14-24(18-33(40)29(35)13-21(3)31(33)39)19-42-30(38)16-23-11-12-27(37)28(15-23)41-5/h6-15,22,26,29,32,37,40H,1,16-19H2,2-5H3/t22-,26+,29-,32?,33-,34+,35?,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052320 (13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...) Show SMILES COc1ccc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc1OC |t:11,36,THB:17:16:13:25.27.26,24:16:13:25.27.26| Show InChI InChI=1S/C38H42O9/c1-22(2)36-18-24(4)38-28(34(36)45-37(46-36,47-38)20-25-10-8-7-9-11-25)15-27(19-35(41)31(38)14-23(3)33(35)40)21-44-32(39)17-26-12-13-29(42-5)30(16-26)43-6/h7-16,24,28,31,34,41H,1,17-21H2,2-6H3/t24-,28+,31-,34?,35-,36+,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052323 ((4-Hydroxy-3-methoxy-phenyl)-acetic acid 4a,7b-dih...) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(C)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |t:10,28,THB:16:15:12:18.20.19,17:15:12:18.20.19| Show InChI InChI=1S/C31H36O9/c1-16(2)30-13-18(4)31-21(27(30)38-28(5,39-30)40-31)10-20(14-29(35)24(31)9-17(3)26(29)34)15-37-25(33)12-19-7-8-22(32)23(11-19)36-6/h7-11,18,21,24,27,32,35H,1,12-15H2,2-6H3/t18-,21+,24-,27?,28?,29-,30+,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052333 (13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1OCCN |t:10,35,THB:16:15:12:24.26.25,23:15:12:24.26.25| Show InChI InChI=1S/C39H45NO9/c1-23(2)37-19-25(4)39-29(35(37)47-38(48-37,49-39)21-26-9-7-6-8-10-26)16-28(20-36(43)32(39)15-24(3)34(36)42)22-46-33(41)18-27-11-12-30(45-14-13-40)31(17-27)44-5/h6-12,15-17,25,29,32,35,43H,1,13-14,18-22,40H2,2-5H3/t25-,29+,32-,35?,36-,37+,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052328 (13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...) Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(COC(=O)Cc4ccccc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |t:18,36,TLB:6:5:15:3.1.2,4:5:15:3.1.2| Show InChI InChI=1S/C36H38O7/c1-22(2)34-18-24(4)36-28(32(34)41-35(42-34,43-36)20-26-13-9-6-10-14-26)16-27(19-33(39)29(36)15-23(3)31(33)38)21-40-30(37)17-25-11-7-5-8-12-25/h5-16,24,28-29,32,39H,1,17-21H2,2-4H3/t24-,28+,29-,32?,33-,34+,35?,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052330 (13-benzyl-5,6-dihydroxy-15-isopropenyl-4,17-dimeth...) Show SMILES COc1cc(CC(=O)NCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |t:10,35,THB:16:15:12:24.26.25,23:15:12:24.26.25| Show InChI InChI=1S/C37H41NO8/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-38-31(40)16-25-11-12-28(39)29(15-25)43-5/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3,(H,38,40)/t23-,27+,30-,33?,34-,35+,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052321 (CHEMBL98634 | Phenyl-acetic acid (1aR,1bS,4aR,7aS,...) Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@@]4(C[C@@H](C)C3(O)[C@@H]3C=C(C)C(=O)[C@]3(C2)OC)OC(=O)Cc2ccccc2)ccc1O |t:10,26| Show InChI InChI=1S/C38H44O9/c1-22-14-30-36(45-6,34(22)42)20-26(21-46-31(40)18-25-12-13-28(39)29(16-25)44-5)15-27-33-35(3,4)37(33,19-23(2)38(27,30)43)47-32(41)17-24-10-8-7-9-11-24/h7-16,23,27,30,33,39,43H,17-21H2,1-6H3/t23-,27+,30-,33?,36-,37+,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50052324 (13-benzyl-6-hydroxy-8-hydroxymethyl-15-isopropenyl...) Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |t:18,26,TLB:6:5:15:3.1.2,4:5:15:3.1.2| Show InChI InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24?,25-,26+,27?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.				J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5
					More data for this Ligand-Target Pair