Found 191 hits with Last Name = 'ferrer-montiel' 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 M member 8
(Homo sapiens (Human)) | BDBM50613663
(CHEMBL5287633)Show SMILES COc1cc(CN(CCN)C(=O)NC(C)c2ccccc2)ccc1OCc1ccccc1 | PDB
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| UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465610
(CHEMBL4295040)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM256277
(US9487488, 1)Show SMILES FC(F)(F)Oc1ccc(CN(c2ncc3ccccc3c2C2CC2)S(=O)(=O)c2ccc(cc2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C27H21F3N6O3S/c28-27(29,30)39-21-11-5-17(6-12-21)16-36(26-24(18-7-8-18)23-4-2-1-3-20(23)15-31-26)40(37,38)22-13-9-19(10-14-22)25-32-34-35-33-25/h1-6,9-15,18H,7-8,16H2,(H,32,33,34,35) | PDB
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| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50335157
(3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...)Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31) | PDB
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| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50426573
(CHEMBL2324349 | US9434711, 306)Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-20(25)19(12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31) | PDB
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| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50426573
(CHEMBL2324349 | US9434711, 306)Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-20(25)19(12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31) | PDB
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| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465611
(CHEMBL4284808)Show InChI InChI=1S/C24H30N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15-16,18-19H2 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM241619
(US9409915, 11 | US9718820, Compound 11)Show SMILES COc1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1Cl Show InChI InChI=1S/C21H21Cl2N5O/c1-21(2,3)18-15(23)17(28(4)27-18)19-24-14-10-13(11-8-6-7-9-12(11)22)25-20(29-5)16(14)26-19/h6-10H,1-5H3,(H,24,26) | PDB
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| | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613641
(CHEMBL5286610)Show SMILES FC(F)(F)Oc1ccc(cc1)[C@]1(CCOc2cccnc12)NC(=O)c1ccc2[nH]cnc2c1 |r| | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50426573
(CHEMBL2324349 | US9434711, 306)Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-20(25)19(12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31) | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613656
(CHEMBL5272167)Show SMILES CCn1c2ccc(cc2n(Cc2ccc(c(F)c2)C(F)(F)F)\c1=N/S(=O)(=O)c1ccccc1)C(F)(F)F | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613657
(CHEMBL5280890)Show SMILES CCn1c(nc2cc(F)ccc12)N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1 | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50331290
(CHEMBL1289953 | N-(3-aminopropyl)-2-(3-methylbenzy...)Show InChI InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3 | PDB
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| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50036517
(CHEMBL3353597)Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C21H13ClF6N2O5S/c22-17-9-14(20(23,24)25)10-29-18(17)30(11-12-1-5-15(6-2-12)35-21(26,27)28)36(33,34)16-7-3-13(4-8-16)19(31)32/h1-10H,11H2,(H,31,32) | PDB
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| | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613655
(CHEMBL5274341)Show SMILES CC(C)OP(=O)(OC(C)C)[C@@H](Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br |r| | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613642
(CHEMBL5270507) | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613665
(CHEMBL5266721)Show SMILES Cc1ccc2nc(n(-c3ccc(cc3)C(=O)CN3C(=O)NC4(CCC(F)(F)CC4)C3=O)c2n1)C(F)(F)F | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613662
(CHEMBL5267089)Show SMILES COc1cc(CN(CCN)c2nc3ccccc3s2)ccc1OCc1ccccc1F | PDB
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| | n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613653
(CHEMBL5282082)Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)N1CCC(CC1)C(O)=O | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613654
(CHEMBL5285119)Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)CCN1CCC(CC1)c1ccccc1 | PDB
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Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50159505
(CHEMBL1779158 | N,N-Dibenzyltryptamine)Show InChI InChI=1S/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2 | PDB
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| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465610
(CHEMBL4295040)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d... |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360256
(CHEMBL1928201)Show SMILES CN(C)CCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50318484
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 | PDB
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50461837
(CHEMBL4226608)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(I)cc1-[#8] Show InChI InChI=1S/C20H26INO5/c1-13(2)6-5-7-14(3)8-20(25)27-12-19(24)22-11-15-9-18(26-4)17(23)10-16(15)21/h6,8-10,23H,5,7,11-12H2,1-4H3,(H,22,24)/b14-8+ | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ del Piemonte Orientale
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ... |
J Med Chem 61: 4436-4455 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00109
BindingDB Entry DOI: 10.7270/Q2PK0JSM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360257
(CHEMBL1928202)Show SMILES CN(C)CCCCCNc1nc(NCCc2ccc(F)cc2)nc(NCCc2ccc(F)cc2)n1 Show InChI InChI=1S/C26H35F2N7/c1-35(2)19-5-3-4-16-29-24-32-25(30-17-14-20-6-10-22(27)11-7-20)34-26(33-24)31-18-15-21-8-12-23(28)13-9-21/h6-13H,3-5,14-19H2,1-2H3,(H3,29,30,31,32,33,34) | PDB
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Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50317558
(CHEMBL1094770 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...)Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1 | PDB
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| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of menthol-induced intracellular calcium level b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00001
BindingDB Entry DOI: 10.7270/Q2JQ14PT |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613661
(CHEMBL5269402)Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@@]1(O3)C2C=C(COC(=O)Cc2ccc(O)c(OC)c2)C[C@]2(O)C(=O)C(C)=C[C@@]12[H])C(C)=C |r,c:46,t:23,TLB:19:18:2:12.11,45:12:2:18.17.16,11:3:18:14.13.12,43:16:2:12.11,THB:14:16:2:12.11,13:12:2:18.17.16| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50532210
(CHEBI:67078 | DELTA9-TETRAHYDROCANNABINOLIC ACID A)Show SMILES [H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:5| Show InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1 | PDB
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613659
(CHEMBL375696) | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50318487
(CHEMBL497318 | Cannabigerol)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1 Show InChI InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+ | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
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| | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50226429
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1 | PDB
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University of Barcelona
Curated by ChEMBL
| Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes |
J Med Chem 50: 6133-43 (2007)
Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50226436
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)| Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1 | PDB
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University of Barcelona
Curated by ChEMBL
| Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes |
J Med Chem 50: 6133-43 (2007)
Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360242
(CHEMBL1928218)Show SMILES CN(C)CCCNc1nc(NCCc2cccc(F)c2)nc(NCCc2cccc(F)c2)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)15-5-12-27-22-30-23(28-13-10-18-6-3-8-20(25)16-18)32-24(31-22)29-14-11-19-7-4-9-21(26)17-19/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,27,28,29,30,31,32) | PDB
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Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613664
(CHEMBL5275778) | PDB
KEGG
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50159505
(CHEMBL1779158 | N,N-Dibenzyltryptamine)Show InChI InChI=1S/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2 | PDB
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| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol mediated current amplitude at +80 mV holding potential b... |
J Med Chem 59: 2179-91 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01914
BindingDB Entry DOI: 10.7270/Q2B85B1Z |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50226431
(CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...)Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35) | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes |
J Med Chem 50: 6133-43 (2007)
Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360241
(CHEMBL1928217)Show SMILES CN(C)CCCNc1nc(NCCc2ccccc2F)nc(NCCc2ccccc2F)n1 Show InChI InChI=1S/C24H31F2N7/c1-33(2)17-7-14-27-22-30-23(28-15-12-18-8-3-5-10-20(18)25)32-24(31-22)29-16-13-19-9-4-6-11-21(19)26/h3-6,8-11H,7,12-17H2,1-2H3,(H3,27,28,29,30,31,32) | PDB
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Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
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University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol mediated current amplitude at +80 mV holding potential b... |
J Med Chem 59: 2179-91 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01914
BindingDB Entry DOI: 10.7270/Q2B85B1Z |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
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| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPM8 (unknown origin) assessed as reduction in menthol-induced calcium influx |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360263
(CHEMBL1928208)Show SMILES CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H31Cl2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32) | PDB
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Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50226430
(CHEMBL400008 | [L-arginyl]-[N-[2-(indol-3-yl)ethyl...)Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)| Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1 | PDB
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| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Barcelona
Curated by ChEMBL
| Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes |
J Med Chem 50: 6133-43 (2007)
Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50317558
(CHEMBL1094770 | N-[(1R,2S,5R)-2-Isopropyl-5-methyl...)Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29NO/c1-16(2)21-14-9-17(3)15-22(21)24-23(25)20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17,21-22H,9,14-15H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level by... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00001
BindingDB Entry DOI: 10.7270/Q2JQ14PT |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360260
(CHEMBL1928205)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#7]-c1nc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)nc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)n1 Show InChI InChI=1S/C24H31F2N9/c25-19-7-3-17(4-8-19)11-15-31-23-33-22(30-14-2-1-13-29-21(27)28)34-24(35-23)32-16-12-18-5-9-20(26)10-6-18/h3-10H,1-2,11-16H2,(H4,27,28,29)(H3,30,31,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465611
(CHEMBL4284808)Show InChI InChI=1S/C24H30N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15-16,18-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d... |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360249
(CHEMBL1928343)Show SMILES CN(C)CCCNc1nc(NCc2ccc(cc2)C(F)(F)F)nc(NCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C24H27F6N7/c1-37(2)13-3-12-31-20-34-21(32-14-16-4-8-18(9-5-16)23(25,26)27)36-22(35-20)33-15-17-6-10-19(11-7-17)24(28,29)30/h4-11H,3,12-15H2,1-2H3,(H3,31,32,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50360237
(CHEMBL1928213)Show SMILES CN(C)CCCNc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)n1 Show InChI InChI=1S/C24H33N7/c1-31(2)19-9-16-25-22-28-23(26-17-14-20-10-5-3-6-11-20)30-24(29-22)27-18-15-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3,(H3,25,26,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Qu£mica Avan£ada de Catalunya
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by... |
J Med Chem 54: 7441-52 (2011)
Article DOI: 10.1021/jm200981s
BindingDB Entry DOI: 10.7270/Q2M32W6F |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50613658
(CHEMBL5284265)Show SMILES CCCCC\C=C\C\C=C/C\C=C\C\C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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