Found 349 hits with Last Name = 'farkas' and Initial = 's' 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 |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50156455
((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| US Patent
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129716
(US8802672, 1)Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25) | KEGG
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| PC cid
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| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129721
(US8802672, 11)Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CCC(N)=O)CC2)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-8,,;-10.67,,;-9.34,-5.39,;-9.34,-6.93,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C20H32Cl2N6O/c1-24-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-2-14(3-5-15)6-7-16(23)29/h14-15H,2-13H2,1H3,(H2,23,29)(H,24,25,26) | KEGG
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| PC cid
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| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129720
(US8802672, 10)Show SMILES CCNC(=O)NC1CCC(CCN2CCN(CC2)c2nc(NC)nc(Cl)c2Cl)CC1 |(-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-16,-9.24,;-16,-7.7,;-17.34,-6.93,;-18.67,-7.7,;-20.01,-6.93,;-21.34,-7.7,;-22.67,-6.93,;-22.67,-5.39,;-21.34,-4.62,;-20.01,-5.39,;-24.01,-4.62,;-25.34,-5.39,;-26.67,-4.62,;-28.01,-5.39,;-28.01,-6.93,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-14.67,-6.93,;-13.34,-7.7,)| Show InChI InChI=1S/C20H33Cl2N7O/c1-3-24-20(30)25-15-6-4-14(5-7-15)8-9-28-10-12-29(13-11-28)18-16(21)17(22)26-19(23-2)27-18/h14-15H,3-13H2,1-2H3,(H,23,26,27)(H2,24,25,30) | KEGG
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| PC cid
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| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381274
(CHEMBL2018866)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N[C@H]1CC[C@H](CCC2=NCCN2)CC1 |r,wU:25.27,wD:28.31,t:34,(-10.48,-5.02,;-9.15,-4.25,;-7.8,-5.01,;-6.48,-4.24,;-6.49,-2.7,;-7.82,-1.93,;-9.15,-2.71,;-10.49,-1.94,;-5.16,-1.93,;-3.68,-1.52,;-4.07,-3.02,;-5.16,-.39,;-6.5,.37,;-6.5,1.92,;-5.18,2.7,;-5.18,4.24,;-3.85,5.02,;-2.5,4.25,;-2.5,2.7,;-3.83,1.93,;-3.83,.39,;-2.49,-.38,;-1.16,.39,;-1.16,1.93,;.18,-.37,;1.51,.4,;1.49,1.94,;2.83,2.71,;4.17,1.94,;5.5,2.7,;6.83,1.93,;8.1,2.81,;8.14,4.36,;9.61,4.8,;10.49,3.54,;9.55,2.31,;4.16,.4,;2.84,-.37,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-11-10-22(17-25(24)30)38(36,37)34-16-13-20-3-1-2-4-23(20)26(34)18-28(35)33-21-8-5-19(6-9-21)7-12-27-31-14-15-32-27/h1-4,10-11,17,19,21,26H,5-9,12-16,18H2,(H,31,32)(H,33,35)/t19-,21-,26? | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066519
(CHEMBL3403102)Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H | PDB
MMDB
Reactome pathway
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| Article
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381267
(CHEMBL2018871)Show SMILES Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:22| Show InChI InChI=1S/C32H27Cl2FN4O3S/c33-27-12-10-23(18-28(27)34)43(41,42)39-29-4-2-1-3-25(29)24-11-9-22(35)17-26(24)30(39)19-31(40)36-14-13-20-5-7-21(8-6-20)32-37-15-16-38-32/h1-12,17-18,30H,13-16,19H2,(H,36,40)(H,37,38) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066730
(CHEMBL3403126)Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C20H11F2N3O2S2/c21-12-5-11(9-23)6-14(7-12)29(26,27)20-18(15-3-1-2-4-17(15)22)16-8-13(24)10-25-19(16)28-20/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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| Article
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381265
(CHEMBL2018873)Show SMILES COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:21| Show InChI InChI=1S/C33H30Cl2N4O4S/c1-43-30-8-4-6-25-29(20-31(40)36-16-15-21-9-11-22(12-10-21)33-37-17-18-38-33)39(28-7-3-2-5-24(28)32(25)30)44(41,42)23-13-14-26(34)27(35)19-23/h2-14,19,29H,15-18,20H2,1H3,(H,36,40)(H,37,38) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066735
(CHEMBL3403121)Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cccc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)| Show InChI InChI=1S/C20H12FN3O2S2/c21-17-7-2-1-6-15(17)18-16-9-13(23)11-24-19(16)27-20(18)28(25,26)14-5-3-4-12(8-14)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066731
(CHEMBL3403125)Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-2-12(6-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-5-11(9-23)4-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129718
(US8802672, 6)Show SMILES CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C20H32Cl2N6O/c1-3-23-20-25-18(22)17(21)19(26-20)28-12-10-27(11-13-28)9-8-15-4-6-16(7-5-15)24-14(2)29/h15-16H,3-13H2,1-2H3,(H,24,29)(H,23,25,26) | KEGG
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Similars
| US Patent
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129719
(US8802672, 7)Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1 |(-4.53,8.84,;-3.2,9.61,;-1.86,8.84,;-.53,9.61,;.81,8.84,;2.14,9.61,;.81,7.3,;2.14,6.53,;-.53,6.53,;-1.86,7.3,;-.53,4.99,;-1.86,4.22,;-1.86,2.68,;-.53,1.91,;-.53,.37,;.81,-.4,;.81,-1.94,;-.53,-2.71,;-.53,-4.25,;.81,-5.02,;2.14,-4.25,;2.14,-2.71,;.81,-6.56,;2.14,-7.33,;3.47,-6.56,;2.14,-8.87,;3.47,-9.64,;3.47,-11.18,;2.14,-11.95,;.81,-11.18,;.81,-9.64,;.81,2.68,;.81,4.22,)| Show InChI InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28) | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM6775
(US8802672, 8)Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)| Show InChI InChI=1S/C20H33Cl2N7O/c1-23-19-25-17(22)16(21)18(26-19)29-12-10-28(11-13-29)9-8-14-4-6-15(7-5-14)24-20(30)27(2)3/h14-15H,4-13H2,1-3H3,(H,24,30)(H,23,25,26) | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM129717
(US8802672, 2)Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(N)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C18H29Cl2N7O/c1-22-18-24-15(20)14(19)16(25-18)27-10-8-26(9-11-27)7-6-12-2-4-13(5-3-12)23-17(21)28/h12-13H,2-11H2,1H3,(H3,21,23,28)(H,22,24,25) | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Richter Gedeon Nyrt.
US Patent
| Assay Description
Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4... |
US Patent US8802672 (2014)
BindingDB Entry DOI: 10.7270/Q2FF3R1T |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066366
(CHEMBL3401592)Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C#N Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381279
(CHEMBL2018861)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)NCCc1ccc(cc1)C1=NCCN1 |t:37| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-10-9-22(17-25(24)30)38(36,37)34-16-12-20-3-1-2-4-23(20)26(34)18-27(35)31-13-11-19-5-7-21(8-6-19)28-32-14-15-33-28/h1-10,17,26H,11-16,18H2,(H,31,35)(H,32,33) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066734
(CHEMBL3403122)Show SMILES Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11ClFN3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066520
(CHEMBL3403101)Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-4-1-3-13(9-14)18-17-5-2-6-24-19(17)27-20(18)28(25,26)16-8-12(11-23)7-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066521
(CHEMBL3403100)Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066728
(CHEMBL3403128)Show SMILES Nc1cnc2sc(c(-c3cc(F)cc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-1-10(8-24)2-16(6-12)30(27,28)20-18(11-3-13(22)5-14(23)4-11)17-7-15(25)9-26-19(17)29-20/h1-7,9H,25H2 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066671
(CHEMBL3403146)Show SMILES Fc1cccc(c1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-2-12(8-13)18-16-4-5-17(23)25-19(16)28-20(18)29(26,27)15-7-11(10-24)6-14(22)9-15/h1-9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066729
(CHEMBL3403127)Show SMILES Nc1cnc2sc(c(-c3ccc(F)c(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-3-10(8-24)4-14(6-12)30(27,28)20-18(11-1-2-16(22)17(23)5-11)15-7-13(25)9-26-19(15)29-20/h1-7,9H,25H2 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066713
(CHEMBL3403145)Show SMILES Fc1ccc(cc1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-12(2-4-13)18-16-5-6-17(23)25-19(16)28-20(18)29(26,27)15-8-11(10-24)7-14(22)9-15/h1-9H | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066732
(CHEMBL3403124)Show SMILES Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381270
(CHEMBL2018868)Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:28| Show InChI InChI=1S/C35H36N4O3S/c1-23-20-25(3)33(21-24(23)2)43(41,42)39-31-11-7-6-9-29(31)28-8-4-5-10-30(28)32(39)22-34(40)36-17-16-26-12-14-27(15-13-26)35-37-18-19-38-35/h4-15,20-21,32H,16-19,22H2,1-3H3,(H,36,40)(H,37,38) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066751
(CHEMBL3403094)Show SMILES Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C21H14N2O2S2/c1-14-7-9-16(10-8-14)19-18-6-3-11-23-20(18)26-21(19)27(24,25)17-5-2-4-15(12-17)13-22/h2-12H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
Similars
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381271
(CHEMBL2018867)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27| Show InChI InChI=1S/C32H28Cl2N4O3S/c33-27-14-13-23(19-28(27)34)42(40,41)38-29-8-4-3-6-25(29)24-5-1-2-7-26(24)30(38)20-31(39)35-16-15-21-9-11-22(12-10-21)32-36-17-18-37-32/h1-14,19,30H,15-18,20H2,(H,35,39)(H,36,37) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066362
(CHEMBL3401594)Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClNO2S2/c1-13-5-10-17(12-14(13)2)27(24,25)21-19(15-6-8-16(22)9-7-15)18-4-3-11-23-20(18)26-21/h3-12H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066754
(CHEMBL3403091)Show SMILES Clc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)| Show InChI InChI=1S/C20H11ClN2O2S2/c21-17-9-2-1-7-15(17)18-16-8-4-10-23-19(16)26-20(18)27(24,25)14-6-3-5-13(11-14)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381275
(CHEMBL2018865)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N1CCC(Cc2ccc(cc2)C2=NCCN2)CC1 |t:39| Show InChI InChI=1S/C32H34Cl2N4O3S/c33-28-10-9-26(20-29(28)34)42(40,41)38-18-13-24-3-1-2-4-27(24)30(38)21-31(39)37-16-11-23(12-17-37)19-22-5-7-25(8-6-22)32-35-14-15-36-32/h1-10,20,23,30H,11-19,21H2,(H,35,36) | PDB
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066498
(CHEMBL3401580)Show SMILES Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066736
(CHEMBL3403120)Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H12FN3O2S2/c21-14-5-2-4-13(8-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-6-1-3-12(7-16)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381277
(CHEMBL2018863)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)N[C@H]2CC[C@H](CCC3=NCCN3)CC2)CCc2ccccc12 |r,wU:17.17,wD:20.21,t:24,(-10.44,-4.97,;-9.11,-4.2,;-7.77,-4.96,;-6.44,-4.19,;-6.45,-2.65,;-7.79,-1.88,;-9.12,-2.66,;-10.45,-1.89,;-5.12,-1.88,;-3.64,-1.47,;-4.04,-2.97,;-5.13,-.34,;-3.79,.44,;-2.45,-.33,;-1.12,.44,;-1.13,1.98,;.21,-.32,;1.55,.45,;1.53,1.99,;2.87,2.76,;4.2,1.99,;5.54,2.76,;6.87,1.98,;8.1,2.92,;8.07,4.47,;9.52,4.97,;10.45,3.75,;9.57,2.48,;4.2,.45,;2.87,-.32,;-3.8,1.98,;-5.14,2.75,;-6.47,1.97,;-7.8,2.73,;-9.13,1.96,;-9.13,.42,;-7.8,-.35,;-6.46,.42,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-13-12-23(18-25(24)30)38(36,37)34-22(11-8-20-3-1-2-4-26(20)34)17-28(35)33-21-9-5-19(6-10-21)7-14-27-31-15-16-32-27/h1-4,12-13,18-19,21-22H,5-11,14-17H2,(H,31,32)(H,33,35)/t19-,21-,22? | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066753
(CHEMBL3403092)Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11FN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381269
(CHEMBL2018869)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:26| Show InChI InChI=1S/C33H32N4O3S/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) | PDB
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PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066752
(CHEMBL3403093)Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381281
(CHEMBL2018859)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)CCc2ccccc12 |t:27| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-12-11-23(18-25(24)30)38(36,37)34-22(10-9-20-3-1-2-4-26(20)34)17-27(35)31-14-13-19-5-7-21(8-6-19)28-32-15-16-33-28/h1-8,11-12,18,22H,9-10,13-17H2,(H,31,35)(H,32,33) | PDB
KEGG
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UniChem
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| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066434
(CHEMBL3401588)Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H13Cl2NO2S2/c1-12-4-9-15(11-17(12)22)27(24,25)20-18(13-5-7-14(21)8-6-13)16-3-2-10-23-19(16)26-20/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066733
(CHEMBL3403123)Show SMILES Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11ClFN3O2S2/c21-13-3-1-2-12(6-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-5-11(9-23)4-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066369
(CHEMBL3401590)Show SMILES COc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H13ClFNO3S2/c1-26-17-9-8-14(11-16(17)22)28(24,25)20-18(12-4-6-13(21)7-5-12)15-3-2-10-23-19(15)27-20/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066716
(CHEMBL3403140)Show SMILES Fc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-6-4-13(5-7-14)18-16-8-9-17(22)24-19(16)27-20(18)28(25,26)15-3-1-2-12(10-15)11-23/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066737
(CHEMBL3403119)Show SMILES Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H12FN3O2S2/c21-14-6-4-13(5-7-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-3-1-2-12(8-16)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381273
(CHEMBL2018874)Show SMILES COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:12.11,wD:15.15,(21.69,-37.95,;21.69,-39.49,;23.03,-40.25,;24.36,-39.47,;25.71,-40.24,;25.71,-41.79,;24.38,-42.56,;24.39,-44.11,;25.72,-44.87,;27.05,-44.1,;27.05,-42.56,;28.39,-44.87,;29.72,-44.09,;29.7,-42.56,;31.04,-41.79,;32.38,-42.56,;33.71,-41.79,;35.05,-42.56,;36.27,-41.63,;37.75,-42.06,;38.62,-40.8,;37.69,-39.57,;36.24,-40.08,;32.38,-44.1,;31.05,-44.86,;23.05,-44.88,;21.71,-44.12,;20.38,-44.89,;19.04,-44.12,;19.04,-42.58,;20.37,-41.81,;21.71,-42.57,;23.04,-41.79,;23.05,-46.42,;24.54,-46.02,;24.14,-47.51,;21.72,-47.2,;21.73,-48.73,;20.41,-49.51,;19.06,-48.74,;17.73,-49.51,;19.06,-47.2,;17.72,-46.43,;20.39,-46.43,)| Show InChI InChI=1S/C34H39Cl2N3O4S/c1-43-32-10-6-8-27-31(22-33(40)37-24-13-11-23(12-14-24)17-20-38-18-4-5-19-38)39(30-9-3-2-7-26(30)34(27)32)44(41,42)25-15-16-28(35)29(36)21-25/h2-3,6-10,15-16,21,23-24,31H,4-5,11-14,17-20,22H2,1H3,(H,37,40)/t23-,24-,31? | PDB
KEGG
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| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066525
(CHEMBL3403099)Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1cccc(Cl)c1)C#N Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-4-1-3-13(9-14)18-17-5-2-6-24-19(17)27-20(18)28(25,26)16-8-12(11-23)7-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066739
(CHEMBL3403117)Show SMILES Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H12ClN3O2S2/c21-14-6-4-13(5-7-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-3-1-2-12(8-16)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381266
(CHEMBL2018872)Show SMILES Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:23| Show InChI InChI=1S/C32H26Cl2F2N4O3S/c33-25-10-9-22(17-26(25)34)44(42,43)40-28-4-2-1-3-23(28)31-24(15-21(35)16-27(31)36)29(40)18-30(41)37-12-11-19-5-7-20(8-6-19)32-38-13-14-39-32/h1-10,15-17,29H,11-14,18H2,(H,37,41)(H,38,39) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066516
(CHEMBL3401568)Show InChI InChI=1S/C18H19ClN2O2S/c19-14-6-3-7-15(12-14)20-18(22)23-21-17-9-2-1-5-13(17)11-16-8-4-10-24-16/h3-4,6-8,10,12-13H,1-2,5,9,11H2,(H,20,22)/b21-17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066727
(CHEMBL3403129)Show SMILES Nc1cnc2sc(c(-c3cnccc3Cl)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C19H10ClFN4O2S2/c20-16-1-2-24-9-15(16)17-14-6-12(23)8-25-18(14)28-19(17)29(26,27)13-4-10(7-22)3-11(21)5-13/h1-6,8-9H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
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