Found 595 hits with Last Name = 'yamasaki' and Initial = 't' 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 |
|---|
Translocator protein
(Rattus norvegicus (rat)) | BDBM50122294
(CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...)Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3 | PDB
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PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]DAA1106 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50127171
(CHEMBL299578 | N-{3-[(4-Amino-benzenesulfonyl)-iso...)Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C34H42N4O7S3/c1-24(2)21-38(48(44,45)30-17-14-28(35)15-18-30)22-33(39)31(19-25-9-5-4-6-10-25)36-34(40)32(37-47(3,42)43)23-46(41)29-16-13-26-11-7-8-12-27(26)20-29/h4-18,20,24,31-33,37,39H,19,21-23,35H2,1-3H3,(H,36,40)/t31-,32+,33+,46?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against HIV-1 protease |
J Med Chem 46: 1764-8 (2003)
Article DOI: 10.1021/jm020537i
BindingDB Entry DOI: 10.7270/Q2805218 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM810
((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H52N4O6S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,47)48)25-49(46)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+,49?/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against HIV-1 protease |
J Med Chem 46: 1764-8 (2003)
Article DOI: 10.1021/jm020537i
BindingDB Entry DOI: 10.7270/Q2805218 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | PDB
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| PDB
Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against HIV-1 protease |
J Med Chem 46: 1764-8 (2003)
Article DOI: 10.1021/jm020537i
BindingDB Entry DOI: 10.7270/Q2805218 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50266889
(CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...)Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50312840
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1 Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain CB2 receptor |
Bioorg Med Chem Lett 20: 1565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against HIV-1 protease |
J Med Chem 46: 1764-8 (2003)
Article DOI: 10.1021/jm020537i
BindingDB Entry DOI: 10.7270/Q2805218 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50163592
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)| Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+ | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 |
Bioorg Med Chem 19: 102-10 (2011)
Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50127172
(4-Amino-N-[3-benzyl-2-hydroxy-6-methanesulfonylami...)Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)C=C[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C35H43N3O6S3/c1-26(2)23-38(47(43,44)34-19-15-31(36)16-20-34)24-35(39)30(21-27-9-5-4-6-10-27)13-17-32(37-46(3,41)42)25-45(40)33-18-14-28-11-7-8-12-29(28)22-33/h4-20,22,26,30,32,35,37,39H,21,23-25,36H2,1-3H3/t30-,32-,35+,45?/m0/s1 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against HIV-1 protease |
J Med Chem 46: 1764-8 (2003)
Article DOI: 10.1021/jm020537i
BindingDB Entry DOI: 10.7270/Q2805218 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50301822
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 |
Bioorg Med Chem 19: 102-10 (2011)
Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50301822
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 by PET analysis |
Bioorg Med Chem Lett 21: 2998-3001 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615173
(CHEMBL5265782) | PDB
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| | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50266861
(CHEMBL515622 | N-benzyl-N-ethyl-2-(7-(2-fluoroethy...)Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3 | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50266863
(CHEMBL476811 | N-benzyl-N-(2-fluoroethyl)-2-(7-met...)Show SMILES Cn1c2cnc(nc2n(CC(=O)N(CCF)Cc2ccccc2)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27-19-14-25-21(18-10-6-3-7-11-18)26-22(19)29(23(27)31)16-20(30)28(13-12-24)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50266889
(CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...)Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting |
J Med Chem 54: 6040-9 (2011)
Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50054139
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)Show SMILES CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting |
J Med Chem 54: 6040-9 (2011)
Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50333368
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+ | PDB
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PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 |
Bioorg Med Chem 19: 102-10 (2011)
Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50333368
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+ | PDB
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PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 by PET analysis |
Bioorg Med Chem Lett 21: 2998-3001 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50266862
(CHEMBL476607 | N-benzyl-2-(7-(2-fluoroethyl)-8-oxo...)Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1 Show InChI InChI=1S/C23H22FN5O2/c1-27(15-17-8-4-2-5-9-17)20(30)16-29-22-19(28(13-12-24)23(29)31)14-25-21(26-22)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3 | PDB
KEGG
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GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| 1.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane |
Bioorg Med Chem Lett 19: 1707-10 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615166
(CHEMBL5287804) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | >1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615175
(CHEMBL5285051) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | >1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50273942
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3 | PDB
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 by PET analysis |
Bioorg Med Chem Lett 21: 2998-3001 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50312841
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to rat brain CB2 receptor |
Bioorg Med Chem Lett 20: 1565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34 |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615163
(CHEMBL5272792) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Rattus norvegicus (rat)) | BDBM50395192
(CHEMBL2164336)Show InChI InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3 | PDB
Reactome pathway
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PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT7 in rat brain |
Bioorg Med Chem 21: 5316-22 (2013)
Article DOI: 10.1016/j.bmc.2013.06.020
BindingDB Entry DOI: 10.7270/Q2H9985B |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615179
(CHEMBL5270129) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50273942
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 |
Bioorg Med Chem 19: 102-10 (2011)
Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50312838
(CHEMBL1081623 | SCH-225336 | [11C]N-(1-(4-(4-metho...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)NS(C)(=O)=O Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3 | PDB
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PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 1565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50333371
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3 | PDB
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PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 by PET analysis |
Bioorg Med Chem Lett 21: 2998-3001 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50333371
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3 | PDB
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PC sid
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PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to mGluR1 |
Bioorg Med Chem 19: 102-10 (2011)
Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50401000
(CHEMBL2206282)Show SMILES CCN(Cc1ccncc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-9-11-23-12-10-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting |
J Med Chem 54: 6040-9 (2011)
Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50301520
(4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...)Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22) | PDB
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Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom... |
J Med Chem 55: 2342-52 (2012)
Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615182
(CHEMBL5265987) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615180
(CHEMBL5277173) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50312837
(CHEMBL1081610 | [11C]8-butoxy-N-cyclohexyl-7-metho...)Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 1565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50492860
(CHEMBL2413451)Show SMILES [11CH3]N1C(=O)C2(CCCCCN3CCc4sccc4C3)CCCc3cccc1c23 Show InChI InChI=1S/C24H30N2OS/c1-25-20-9-5-7-18-8-6-13-24(22(18)20,23(25)27)12-3-2-4-14-26-15-10-21-19(17-26)11-16-28-21/h5,7,9,11,16H,2-4,6,8,10,12-15,17H2,1H3/i1-1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT7 (unknown origin) |
Bioorg Med Chem 21: 5316-22 (2013)
Article DOI: 10.1016/j.bmc.2013.06.020
BindingDB Entry DOI: 10.7270/Q2H9985B |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50388957
(CHEMBL2063722)Show SMILES COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1 Show InChI InChI=1S/C19H21N5O2S/c1-12(2)22-17-9-15(20-11-21-17)16-10-27-19(23-16)24(3)18(25)13-5-7-14(26-4)8-6-13/h5-12H,1-4H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom... |
J Med Chem 55: 2342-52 (2012)
Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615164
(CHEMBL5266253) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50400999
(CHEMBL2206283)Show SMILES CCN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-8-7-11-23-12-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-9-5-4-6-10-17/h4-13H,3,14-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting |
J Med Chem 54: 6040-9 (2011)
Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50400331
(CHEMBL2181520)Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting |
J Med Chem 55: 11042-51 (2012)
Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615168
(CHEMBL5273005) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50400332
(CHEMBL2181521)Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting |
J Med Chem 55: 11042-51 (2012)
Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50400330
(CHEMBL2181519)Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H18N6OS/c1-12(2)23-17-8-15(21-11-22-17)16-10-27-19(24-16)25(3)18(26)14-6-4-13(9-20)5-7-14/h4-8,10-12H,1-3H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting |
J Med Chem 55: 11042-51 (2012)
Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615174
(CHEMBL5283139) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615171
(CHEMBL5273003) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50312839
(CHEMBL1081622 | [18F]8-butoxy-N-cyclohexyl-7-(2-fl...)Show SMILES CCCCOc1c(OCCF)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C22H29FN2O4/c1-2-3-12-29-20-18(28-13-11-23)10-9-15-14-17(22(27)25-19(15)20)21(26)24-16-7-5-4-6-8-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,26)(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 1565-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34 |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615181
(CHEMBL5276358) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50400998
(CHEMBL2206284)Show SMILES CN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Radiological Sciences
Curated by ChEMBL
| Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting |
J Med Chem 54: 6040-9 (2011)
Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16 |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50615170
(CHEMBL5268363) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 46 | n/a | n/a | 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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