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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'van craenenbroeck' and Initial = 'k'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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13n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463981
PNG
(CHEMBL4242192)
Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)
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17n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463981
PNG
(CHEMBL4242192)
Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)
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19n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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45n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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50n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463983
PNG
(CHEMBL4250062)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCC#C
Show InChI InChI=1S/C22H26N2O3/c1-4-15-27-21-10-9-18(16-22(21)26-3)17-23-11-13-24(14-12-23)19-7-5-6-8-20(19)25-2/h1,5-10,16H,11-15,17H2,2-3H3
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69n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463983
PNG
(CHEMBL4250062)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCC#C
Show InChI InChI=1S/C22H26N2O3/c1-4-15-27-21-10-9-18(16-22(21)26-3)17-23-11-13-24(14-12-23)19-7-5-6-8-20(19)25-2/h1,5-10,16H,11-15,17H2,2-3H3
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77n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463986
PNG
(CHEMBL4246185)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)
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79n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463987
PNG
(CHEMBL4241180)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)
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94n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463988
PNG
(CHEMBL4242453)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)
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115n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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132n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463982
PNG
(CHEMBL4239987)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)
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142n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463987
PNG
(CHEMBL4241180)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)
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147n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463986
PNG
(CHEMBL4246185)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)
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171n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463991
PNG
(CHEMBL4239573)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C47H60N8O10S/c1-37-50-40(36-66-37)10-8-38-28-42(31-48-30-38)64-35-47(56)49-12-18-59-20-22-61-24-26-63-27-25-62-23-21-60-19-17-55-33-41(51-52-55)34-65-45-11-9-39(29-46(45)58-3)32-53-13-15-54(16-14-53)43-6-4-5-7-44(43)57-2/h4-7,9,11,28-31,33,36H,12-27,32,34-35H2,1-3H3,(H,49,56)
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186n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463989
PNG
(CHEMBL4249547)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C43H52N8O8S/c1-33-46-36(32-60-33)10-8-34-24-38(27-44-26-34)58-31-43(52)45-12-18-55-20-22-57-23-21-56-19-17-51-29-37(47-48-51)30-59-41-11-9-35(25-42(41)54-3)28-49-13-15-50(16-14-49)39-6-4-5-7-40(39)53-2/h4-7,9,11,24-27,29,32H,12-23,28,30-31H2,1-3H3,(H,45,52)
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251n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463990
PNG
(CHEMBL4241776)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)
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252n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463982
PNG
(CHEMBL4239987)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)
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295n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463988
PNG
(CHEMBL4242453)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)
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303n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463991
PNG
(CHEMBL4239573)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C47H60N8O10S/c1-37-50-40(36-66-37)10-8-38-28-42(31-48-30-38)64-35-47(56)49-12-18-59-20-22-61-24-26-63-27-25-62-23-21-60-19-17-55-33-41(51-52-55)34-65-45-11-9-39(29-46(45)58-3)32-53-13-15-54(16-14-53)43-6-4-5-7-44(43)57-2/h4-7,9,11,28-31,33,36H,12-27,32,34-35H2,1-3H3,(H,49,56)
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352n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463990
PNG
(CHEMBL4241776)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)
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398n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463989
PNG
(CHEMBL4249547)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C43H52N8O8S/c1-33-46-36(32-60-33)10-8-34-24-38(27-44-26-34)58-31-43(52)45-12-18-55-20-22-57-23-21-56-19-17-51-29-37(47-48-51)30-59-41-11-9-35(25-42(41)54-3)28-49-13-15-50(16-14-49)39-6-4-5-7-40(39)53-2/h4-7,9,11,24-27,29,32H,12-23,28,30-31H2,1-3H3,(H,45,52)
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438n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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1.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5 (unknown origin) expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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1.10E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5a (unknown origin) expressed in HEK293T cell membranes co-expressing human dopamine D2 receptor after...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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1.30E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5a (unknown origin) expressed in HEK293T cell membranes co-expressing human dopamine D2 receptor after...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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2.30E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5 (unknown origin) expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463985
PNG
(CHEMBL4244406)
Show SMILES CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)
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5.70E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5a (unknown origin) expressed in HEK293T cell membranes co-expressing human dopamine D2 receptor after...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463985
PNG
(CHEMBL4244406)
Show SMILES CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)
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5.80E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant mGluR5 (unknown origin) expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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n/an/a 110n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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n/an/a 170n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463987
PNG
(CHEMBL4241180)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)
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n/an/a 240n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463990
PNG
(CHEMBL4241776)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)
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n/an/a 310n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463986
PNG
(CHEMBL4246185)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)
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n/an/a 320n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463988
PNG
(CHEMBL4242453)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)
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Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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n/an/a 620n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463991
PNG
(CHEMBL4239573)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C47H60N8O10S/c1-37-50-40(36-66-37)10-8-38-28-42(31-48-30-38)64-35-47(56)49-12-18-59-20-22-61-24-26-63-27-25-62-23-21-60-19-17-55-33-41(51-52-55)34-65-45-11-9-39(29-46(45)58-3)32-53-13-15-54(16-14-53)43-6-4-5-7-44(43)57-2/h4-7,9,11,28-31,33,36H,12-27,32,34-35H2,1-3H3,(H,49,56)
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n/an/a 900n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463989
PNG
(CHEMBL4249547)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C43H52N8O8S/c1-33-46-36(32-60-33)10-8-34-24-38(27-44-26-34)58-31-43(52)45-12-18-55-20-22-57-23-21-56-19-17-51-29-37(47-48-51)30-59-41-11-9-35(25-42(41)54-3)28-49-13-15-50(16-14-49)39-6-4-5-7-40(39)53-2/h4-7,9,11,24-27,29,32H,12-23,28,30-31H2,1-3H3,(H,45,52)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463982
PNG
(CHEMBL4239987)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463980
PNG
(CHEMBL4246881)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463985
PNG
(CHEMBL4244406)
Show SMILES CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463985
PNG
(CHEMBL4244406)
Show SMILES CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK p...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463982
PNG
(CHEMBL4239987)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)
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n/an/an/an/a 20n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463982
PNG
(CHEMBL4239987)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)
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n/an/an/an/a 7.60n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463986
PNG
(CHEMBL4246185)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)
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n/an/an/an/a 32n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463981
PNG
(CHEMBL4242192)
Show SMILES CCCN(CCc1ccc(NC(=O)CCC#C)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)
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n/an/an/an/a 6.5n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463986
PNG
(CHEMBL4246185)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)
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n/an/an/an/a 5.5n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
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n/an/an/an/a 3.30n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated f...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50463984
PNG
(CHEMBL4241844)
Show SMILES CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cncc(c3)C#Cc3csc(C)n3)nn2)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)
PDB
MMDB

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antibodypedia
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Article
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n/an/an/an/a 1.5n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP a...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
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