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Compile Data Set for Download or QSAR

Found 394 hits with Last Name = 'alam' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine receptor


(Homo sapiens (Human))
BDBM50382290
PNG
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.0900n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382312
PNG
(CHEMBL2024677)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19-
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0.440n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382310
PNG
(CHEMBL2024675)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18-
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0.660n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50382290
PNG
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.810n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2S receptor


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382306
PNG
(CHEMBL2024522)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2Cl)CC1
Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)20-6-4-3-5-19(20)22/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)/t17-,18-
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1.60n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50260518
PNG
(CHEMBL442649 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-24-10-11-25-22(14-24)15-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-21(17-32-23)20-6-4-5-19(13-20)16-31/h4-9,12-13,17-18,22,24-28H,3,10-11,14-15H2,1-2H3,(H,33,35)/t18-,22+,24-,25-,26+,27-,28+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382311
PNG
(CHEMBL2024676)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-5-3-16(4-6-17)9-10-26-11-13-27(14-12-26)18-7-8-19(22)20(23)15-18/h7-8,15-17H,3-6,9-14H2,1-2H3,(H,24,28)/t16-,17-
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3.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323373
PNG
(1,2-dicyclohexyl-3-(pyridin-3-yl)propan-1-one O-3-...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cccnc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C27H34ClN3O2/c28-23-14-7-15-24(18-23)30-27(32)33-31-26(22-12-5-2-6-13-22)25(21-10-3-1-4-11-21)17-20-9-8-16-29-19-20/h7-9,14-16,18-19,21-22,25H,1-6,10-13,17H2,(H,30,32)/b31-26+
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3.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261116
PNG
(CHEMBL453277 | ethyl methyl((1R,3aR,4aR,6R,8aR,9S,...)
Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C31H35F3N2O4/c1-4-39-30(38)36(3)24-11-13-25-21(15-24)16-27-28(18(2)40-29(27)37)26(25)12-10-23-9-8-20(17-35-23)19-6-5-7-22(14-19)31(32,33)34/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261114
PNG
(CHEMBL500551 | Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9...)
Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-10-23-9-8-20(17-32-23)19-6-5-7-22(31)14-19/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50222015
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261061
PNG
(CHEMBL493633 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES CNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H32FN3O3/c1-16-26-24(11-8-21-7-6-18(15-31-21)17-4-3-5-20(29)12-17)23-10-9-22(32-28(34)30-2)13-19(23)14-25(26)27(33)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H2,30,32,34)/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261062
PNG
(1-ethyl-3-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-...)
Show SMILES CCNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H34FN3O3/c1-3-31-29(35)33-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)34)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H2,31,33,35)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382307
PNG
(CHEMBL2024523)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19-
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4.95n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50139454
PNG
(CHEMBL3764419)
Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H11ClF3NO2S/c22-17-8-6-15(10-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H
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5.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50139455
PNG
(CHEMBL3765114)
Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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5.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382309
PNG
(CHEMBL2024525)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-8-5-17(22)15-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18-
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5.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50382290
PNG
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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5.70n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2L receptor


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261117
PNG
(CHEMBL446344 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(OC)c2)C1
Show InChI InChI=1S/C30H36N2O5/c1-4-36-30(34)32-23-11-12-25-21(14-23)16-27-28(18(2)37-29(27)33)26(25)13-10-22-9-8-20(17-31-22)19-6-5-7-24(15-19)35-3/h5-10,13,15,17-18,21,23,25-28H,4,11-12,14,16H2,1-3H3,(H,32,34)/t18-,21+,23-,25-,26+,27-,28+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50260520
PNG
(CHEMBL458264 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cc(F)cc(F)c2)C1
Show InChI InChI=1S/C29H32F2N2O4/c1-3-36-29(35)33-23-7-8-24-19(12-23)13-26-27(16(2)37-28(26)34)25(24)9-6-22-5-4-17(15-32-22)18-10-20(30)14-21(31)11-18/h4-6,9-11,14-16,19,23-27H,3,7-8,12-13H2,1-2H3,(H,33,35)/t16-,19+,23-,24-,25+,26-,27+/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261111
PNG
(CHEMBL493983 | methyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)
Show SMILES COC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H31FN2O4/c1-16-26-24(11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17)23-10-9-22(31-28(33)34-2)13-19(23)14-25(26)27(32)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H,31,33)/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261060
PNG
(CHEMBL493632 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(C)=O
Show InChI InChI=1S/C28H31FN2O3/c1-16-27-25(11-8-22-7-6-19(15-30-22)18-4-3-5-21(29)12-18)24-10-9-23(31-17(2)32)13-20(24)14-26(27)28(33)34-16/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,31,32)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261017
PNG
(CHEMBL493792 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)
Show SMILES CCC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H33FN2O3/c1-3-27(33)32-23-10-11-24-20(14-23)15-26-28(17(2)35-29(26)34)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,28H,3,10-11,14-15H2,1-2H3,(H,32,33)/b12-9+/t17-,20+,23-,24-,25+,26-,28+/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261018
PNG
(CHEMBL494618 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(=O)C1CC1
Show InChI InChI=1S/C30H33FN2O3/c1-17-28-26(12-9-23-8-7-20(16-32-23)19-3-2-4-22(31)13-19)25-11-10-24(33-29(34)18-5-6-18)14-21(25)15-27(28)30(35)36-17/h2-4,7-9,12-13,16-18,21,24-28H,5-6,10-11,14-15H2,1H3,(H,33,34)/b12-9+/t17-,21+,24-,25-,26+,27-,28+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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6.70n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Antagonist activity at human mGLUR1


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50382310
PNG
(CHEMBL2024675)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18-
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8.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323380
PNG
((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...)
Show SMILES Cc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C27H36N2O2S/c1-20-10-8-15-23(18-20)28-27(30)31-29-26(22-13-6-3-7-14-22)25(19-24-16-9-17-32-24)21-11-4-2-5-12-21/h8-10,15-18,21-22,25H,2-7,11-14,19H2,1H3,(H,28,30)/b29-26+
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8.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50139453
PNG
(CHEMBL3763653)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H
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8.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323378
PNG
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(6-thioxo...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H33ClN2O2S/c27-21-13-7-14-22(17-21)28-26(30)31-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-32-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+
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9.10n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50139450
PNG
(CHEMBL3764138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3
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9.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261108
PNG
(CHEMBL447996 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NS(C)(=O)=O
Show InChI InChI=1S/C28H31F3N2O4S/c1-16-26-24(23-10-9-22(33-38(2,35)36)13-19(23)14-25(26)27(34)37-16)11-8-21-7-6-18(15-32-21)17-4-3-5-20(12-17)28(29,30)31/h3-8,11-12,15-16,19,22-26,33H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261107
PNG
(CHEMBL493975 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NS(C)(=O)=O
Show InChI InChI=1S/C27H31FN2O4S/c1-16-26-24(11-8-21-7-6-18(15-29-21)17-4-3-5-20(28)12-17)23-10-9-22(30-35(2,32)33)13-19(23)14-25(26)27(31)34-16/h3-8,11-12,15-16,19,22-26,30H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50260519
PNG
(CHEMBL521531 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(Cl)c2)C1
Show InChI InChI=1S/C29H33ClN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202073
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50260521
PNG
(CHEMBL507697 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(C)c2F)C1
Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33-22-11-12-23-20(14-22)15-26-27(18(3)37-29(26)34)25(23)13-10-21-9-8-19(16-32-21)24-7-5-6-17(2)28(24)31/h5-10,13,16,18,20,22-23,25-27H,4,11-12,14-15H2,1-3H3,(H,33,35)/t18-,20+,22-,23-,25+,26-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50260516
PNG
(CHEMBL495422 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2F)C1
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-21-11-12-22-19(14-21)15-25-27(17(2)36-28(25)33)24(22)13-10-20-9-8-18(16-31-20)23-6-4-5-7-26(23)30/h4-10,13,16-17,19,21-22,24-25,27H,3,11-12,14-15H2,1-2H3,(H,32,34)/t17-,19+,21-,22-,24+,25-,27+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323379
PNG
((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...)
Show SMILES Fc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H33FN2O2S/c27-21-13-7-14-22(17-21)28-26(30)31-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-32-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50139452
PNG
(CHEMBL3764943)
Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)5-6-18(19)21(20)12-1-3-15(24)4-2-12/h1-11H
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261109
PNG
(CHEMBL449425 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-1-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C30H33F3N2O4/c1-3-38-29(37)35-23-10-11-24-20(14-23)15-26-27(17(2)39-28(26)36)25(24)12-9-22-8-7-19(16-34-22)18-5-4-6-21(13-18)30(31,32)33/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,35,37)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382308
PNG
(CHEMBL2024524)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-7-3-17(4-8-19)11-12-25-13-15-26(16-14-25)20-9-5-18(22)6-10-20/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,23,27)/t17-,19-
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13.1n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323377
PNG
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(5-thioxo...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H33ClN2O2S/c27-22-12-7-13-23(17-22)28-26(30)31-29-25(21-10-5-2-6-11-21)24(16-19-14-15-32-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24H,1-6,8-11,16H2,(H,28,30)/b29-25+
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14n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50066503
PNG
(CHEMBL3401575)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClNO2S2/c1-13-4-10-16(11-5-13)26(23,24)20-18(14-6-8-15(21)9-7-14)17-3-2-12-22-19(17)25-20/h2-12H,1H3
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15n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50382305
PNG
(CHEMBL2024521)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1
Show InChI InChI=1S/C21H34N4O/c1-23(2)21(26)22-19-10-8-18(9-11-19)12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,22,26)/t18-,19-
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15.9n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323375
PNG
(CHEMBL1209400 | c1,2-dicyclohexyl-3-(1H-pyrrol-3-y...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cc[nH]c2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H34ClN3O2/c27-22-12-7-13-23(17-22)29-26(31)32-30-25(21-10-5-2-6-11-21)24(16-19-14-15-28-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24,28H,1-6,8-11,16H2,(H,29,31)/b30-25+
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16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323365
PNG
(1,2-dicyclohexyl-3-phenylpropan-1-one O-3-chloroph...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C28H35ClN2O2/c29-24-17-10-18-25(20-24)30-28(32)33-31-27(23-15-8-3-9-16-23)26(22-13-6-2-7-14-22)19-21-11-4-1-5-12-21/h1,4-5,10-12,17-18,20,22-23,26H,2-3,6-9,13-16,19H2,(H,30,32)/b31-27+
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16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50261112
PNG
(CHEMBL494816 | propyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)
Show SMILES CCCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C30H35FN2O4/c1-3-13-36-30(35)33-24-10-11-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-20(17-32-23)19-5-4-6-22(31)14-19/h4-9,12,14,17-18,21,24-28H,3,10-11,13,15-16H2,1-2H3,(H,33,35)/t18-,21+,24-,25-,26+,27-,28+/m1/s1
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17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50139450
PNG
(CHEMBL3764138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3
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17n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
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