Found 711 hits with Last Name = 'toth' and Initial = 'a' 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
| 0.0426 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247744
(CHEMBL504725 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-27(32(34)42-35(43-34,44-36)19-24-10-6-5-7-11-24)15-25(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-26-12-8-9-13-28(26)37/h5-15,23,27,29,32,40H,1,16-20H2,2-4H3/t23-,27+,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
| 0.0730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50052442
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(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,THB:23:15:26.25.24:12| 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
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin |
J Med Chem 46: 3116-26 (2003)
Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247741
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)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)ccc1NS(C)(=O)=O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,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
| 0.228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247749
(CHEMBL510583 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)ccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-25-14-26(37)10-11-28(25)38/h5-14,22,27,29,32,41H,1,15-19H2,2-4H3/t22-,27+,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
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20286
(5-I-RTX | 5-iodoresiniferatoxin | [(1R,2R,6R,10S,1...)Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3cc(I)c(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:48,t:23,TLB:11:3:12.14.13:45,THB:4:3:12.14.13:45| Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36?,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | -54.7 | n/a | n/a | 12.2 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247742
(CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,42,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247748
(CHEMBL510228 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)14-25-10-11-26(37)15-28(25)38/h5-13,15,22,27,29,32,41H,1,14,16-19H2,2-4H3/t22-,27+,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
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247751
(CHEMBL449201 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-24-10-11-27(37)28(38)14-24/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/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
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20314
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.83 | -51.9 | n/a | n/a | 5.20 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247745
(CHEMBL455555 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-24-9-6-5-7-10-24)15-26(18-33(40)29(36)13-22(3)31(33)39)20-41-30(38)16-25-11-8-12-27(37)14-25/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247750
(CHEMBL455155 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4c(F)cccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)29(36)13-21(3)31(33)40)19-42-30(39)15-25-27(37)11-8-12-28(25)38/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/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
| 2.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247746
(CHEMBL502769 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,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
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20311
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| 3.29 | -50.4 | n/a | n/a | 12.1 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
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PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as capsaicin-stimulated 45Ca2+ uptake |
Eur J Med Chem 44: 322-31 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.026
BindingDB Entry DOI: 10.7270/Q2R49QJ3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4143-50 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247747
(CHEMBL509331 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)28(36)13-21(3)31(33)40)19-42-29(39)15-25-11-8-12-27(37)30(25)38/h5-14,22,26,28,32,41H,1,15-19H2,2-4H3/t22-,26+,28-,32-,33-,34+,35?,36-/m1/s1 | PDB
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| 3.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20291
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-chloro-4-me...)Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33) | PDB
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UniChem
Similars
| Article
PubMed
| 3.60 | -50.1 | n/a | n/a | 12.3 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Melbourne
Curated by PDSP Ki Database
| Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells |
J Med Chem 48: 345-8 (2005)
Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20313
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1 | PDB
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| PC cid
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UniChem
Similars
| Article
PubMed
| 4.12 | -49.8 | n/a | n/a | 0.580 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50171262
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3 | PDB
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UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss... |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50171262
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50159161
((3S,4aS,4bR,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1CO[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H30O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,22-,23-/m0/s1 | PDB
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UniChem
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Melbourne
Curated by PDSP Ki Database
| Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells |
J Med Chem 48: 345-8 (2005)
Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50159162
((3S,4aR,4bS,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1=CO[C@@H](C[C@]21C)c1ccoc1 |t:19| Show InChI InChI=1S/C23H28O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11-12,16-18,20H,5,7,9-10H2,1-4H3/t16-,17-,18-,20-,22-,23-/m0/s1 | PDB
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UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Melbourne
Curated by PDSP Ki Database
| Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells |
J Med Chem 48: 345-8 (2005)
Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20310
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| 6.26 | -48.7 | n/a | n/a | 10.9 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50196343
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35) | PDB
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| 6.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement. |
J Med Chem 46: 3116-26 (2003)
Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247743
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1 | PDB
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| 6.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50171261
(3-(2-Dimethylamino-ethyl)-1-methyl-1H-indol-4-ol |...)Show InChI InChI=1S/C13H18N2O/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(16)13(10)11/h4-6,9,16H,7-8H2,1-3H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss... |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005246
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 | Reactome pathway
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Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20293
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35) | PDB
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells |
J Med Chem 46: 3116-26 (2003)
Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50362800
(CHEMBL1940382)Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]\[#6]=[#6](\c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1 Show InChI InChI=1S/C27H29FN2O3S/c1-18-5-9-21(10-6-18)24(22-11-7-19(2)8-12-22)15-16-29-27(31)20(3)23-13-14-26(25(28)17-23)30-34(4,32)33/h5-15,17,20,30H,16H2,1-4H3,(H,29,31) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay |
Bioorg Med Chem 20: 1310-8 (2012)
Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50247752
(CHEMBL462654 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)cc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1| Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-28(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)10-21(3)31(33)40)19-42-30(39)14-24-11-26(37)15-27(38)12-24/h5-13,15,22,28-29,32,41H,1,14,16-19H2,2-4H3/t22-,28+,29-,32-,33-,34+,35?,36-/m1/s1 | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system |
Bioorg Med Chem 17: 690-8 (2009)
Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50171264
(CHEMBL197646 | US11427604, Compound (I-43) | US115...)Show InChI InChI=1S/C12H15FN2/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11/h3-5,8,14H,6-7H2,1-2H3 | PDB
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| 8.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]-LSD as radioligand with the compound (10 uM) dissolved in DMSO |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20321
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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| 9.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4143-50 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20321
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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| 9.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20321
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 62: 947-56 (2002)
Article DOI: 10.1124/mol.62.4.947
BindingDB Entry DOI: 10.7270/Q2W094HG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20297
(3-[2-(3-chloro-4-methanesulfonamidophenyl)propanam...)Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C27H37ClN2O5S/c1-17-8-9-20(12-18(17)2)13-21(16-35-26(32)27(4,5)6)15-29-25(31)19(3)22-10-11-24(23(28)14-22)30-36(7,33)34/h8-12,14,19,21,30H,13,15-16H2,1-7H3,(H,29,31) | PDB
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| 11.3 | -47.2 | n/a | n/a | 36 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50009057
((R)Methyl-(1-methyl-2-phenyl-ethyl)-amine | METHAM...)Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 | Reactome pathway
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| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM86286
(CAS_62258 | Cathinone, (-) | NSC_62258)Show InChI InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3 | Reactome pathway
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| 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50171272
(3-Dimethylaminomethyl-1H-indol-4-ol | CHEMBL194588)Show InChI InChI=1S/C11H14N2O/c1-13(2)7-8-6-12-9-4-3-5-10(14)11(8)9/h3-6,12,14H,7H2,1-2H3 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss... |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50362810
(CHEMBL1940207)Show SMILES CC(C(=O)NCc1ccc(cc1Br)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H26BrFN2O3S/c1-13(14-7-9-19(18(23)10-14)25-29(5,27)28)20(26)24-12-15-6-8-16(11-17(15)22)21(2,3)4/h6-11,13,25H,12H2,1-5H3,(H,24,26) | PDB
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| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay |
Bioorg Med Chem 20: 1310-8 (2012)
Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM86285
(CAS_1576 | Methcathinone, (-) | NSC_1576)Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 | Reactome pathway
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| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20290
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-fluoro-4-me...)Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33) | PDB
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| 13.6 | -46.7 | n/a | n/a | 3.24 | n/a | n/a | 7.4 | 37 |
Seoul National University
| Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b... |
J Med Chem 51: 57-67 (2008)
Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50171262
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss... |
Bioorg Med Chem Lett 15: 4555-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50362796
(CHEMBL1940378)Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1 Show InChI InChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29) | PDB
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| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay |
Bioorg Med Chem 20: 1310-8 (2012)
Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 14.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM86285
(CAS_1576 | Methcathinone, (-) | NSC_1576)Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 | NCI pathway
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| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 307: 138-45 (2003)
Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ |
More data for this
Ligand-Target Pair | |
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