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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'boesgaard' and Initial = 'mw'   
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
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468902
PNG
(CHEMBL4288881)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468902
PNG
(CHEMBL4288881)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1
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n/an/a 155n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468904
PNG
(CHEMBL4173778)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC1=O)C(C)C)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 309n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468904
PNG
(CHEMBL4173778)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC1=O)C(C)C)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468898
PNG
(CHEMBL4278309)
Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r|
Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/a 880n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468898
PNG
(CHEMBL4278309)
Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r|
Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/a 891n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468900
PNG
(CHEMBL4282827)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468900
PNG
(CHEMBL4282827)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468901
PNG
(CHEMBL4294526)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C51H71N7O15/c1-26(2)41(60)38(54-45(63)35-23-19-16-20-24-35)50(68)73-42(27(3)4)39-48(66)58(13)40(32(9)70-14)51(69)71-31(8)37(53-33(10)59)49(67)72-36(25-34-21-17-15-18-22-34)47(65)57(12)29(6)43(61)52-28(5)46(64)56(11)30(7)44(62)55-39/h15-24,26-28,30-32,36-42,60H,6,25H2,1-5,7-14H3,(H,52,61)(H,53,59)(H,54,63)(H,55,62)/t28-,30-,31+,32+,36+,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468901
PNG
(CHEMBL4294526)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C51H71N7O15/c1-26(2)41(60)38(54-45(63)35-23-19-16-20-24-35)50(68)73-42(27(3)4)39-48(66)58(13)40(32(9)70-14)51(69)71-31(8)37(53-33(10)59)49(67)72-36(25-34-21-17-15-18-22-34)47(65)57(12)29(6)43(61)52-28(5)46(64)56(11)30(7)44(62)55-39/h15-24,26-28,30-32,36-42,60H,6,25H2,1-5,7-14H3,(H,52,61)(H,53,59)(H,54,63)(H,55,62)/t28-,30-,31+,32+,36+,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468899
PNG
(CHEMBL4286619)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1
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n/an/a 3.69E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468899
PNG
(CHEMBL4286619)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1
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n/an/a 3.72E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
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n/an/a 4.16E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
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n/an/a 4.17E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
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n/an/a 6.17E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
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n/an/a 6.17E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 9.33E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 9.33E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133681
PNG
(CHEMBL3633655)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O3/c1-26(15-21(29)27-10-12-30-13-11-27)14-20(28)22-18-4-2-3-5-19(18)25-23(22)16-6-8-17(24)9-7-16/h2-9,25H,10-15H2,1H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133681
PNG
(CHEMBL3633655)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O3/c1-26(15-21(29)27-10-12-30-13-11-27)14-20(28)22-18-4-2-3-5-19(18)25-23(22)16-6-8-17(24)9-7-16/h2-9,25H,10-15H2,1H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133676
PNG
(CHEMBL3633650)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133676
PNG
(CHEMBL3633650)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133676
PNG
(CHEMBL3633650)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133676
PNG
(CHEMBL3633650)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468905
PNG
(CHEMBL4290052)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26+,27-,28-,32-,33+,34+,35+,36+,37-,38-/m1/s1
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n/an/a 3.66E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133677
PNG
(CHEMBL3633651)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H24FN3O3/c1-26(15-21(29)27-9-11-30-12-10-27)14-20(28)22-18-13-17(24)7-8-19(18)25-23(22)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14-15H2,1H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133677
PNG
(CHEMBL3633651)
Show SMILES CN(CC(=O)N1CCOCC1)CC(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H24FN3O3/c1-26(15-21(29)27-9-11-30-12-10-27)14-20(28)22-18-13-17(24)7-8-19(18)25-23(22)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14-15H2,1H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 4.17E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in CHO cells assessed as inhibition of L-glutamate-induced inositol monophosphate accumulation after 1 hr...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 4.17E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in CHO cells assessed as inhibition of L-glutamate-induced inositol monophosphate accumulation after 1 hr...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468903
PNG
(CHEMBL4279374)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CO)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C43H73N7O16/c1-19(2)17-29-39(58)49(14)28(18-51)37(56)44-22(7)38(57)48(13)23(8)36(55)47-32(35(21(5)6)66-42(61)31(46-27(12)53)34(54)20(3)4)40(59)50(15)33(25(10)63-16)43(62)64-24(9)30(41(60)65-29)45-26(11)52/h19-25,28-35,51,54H,17-18H2,1-16H3,(H,44,56)(H,45,52)(H,46,53)(H,47,55)/t22-,23-,24+,25+,28+,29+,30-,31-,32-,33-,34+,35+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-11


(Homo sapiens)		BDBM50468897
PNG
(CHEMBL4286220)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27-,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein G(o) subunit alpha


(Rattus norvegicus)		BDBM50468898
PNG
(CHEMBL4278309)
Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r|
Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein G(o) subunit alpha


(Rattus norvegicus)		BDBM50468900
PNG
(CHEMBL4282827)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein G(o) subunit alpha


(Rattus norvegicus)		BDBM50468904
PNG
(CHEMBL4173778)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](OC1=O)C(C)C)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein G(o) subunit alpha


(Rattus norvegicus)		BDBM50468897
PNG
(CHEMBL4286220)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27-,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
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n/an/a 5.12E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133679
PNG
(CHEMBL3633665)
Show SMILES CN(CCN1CCOCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3
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n/an/a 5.13E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.13E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced inositol monophosphate accumulation...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.13E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced inositol monophosphate accumulation...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.62E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat CaSR expressed in HEK293 cells assessed as inhibition of Ca2+-induced inositol monophosphate accumulation after 1 hr by FR...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.62E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat CaSR expressed in HEK293 cells assessed as inhibition of Ca2+-induced inositol monophosphate accumulation after 1 hr by FR...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133686
PNG
(CHEMBL3633664)
Show SMILES CN(CC(=O)N1CCCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-25(16-21(28)26-13-7-8-14-26)15-20(27)22-18-11-5-6-12-19(18)24-23(22)17-9-3-2-4-10-17/h2-6,9-12,24H,7-8,13-16H2,1H3
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n/an/a 5.73E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.75E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133686
PNG
(CHEMBL3633664)
Show SMILES CN(CC(=O)N1CCCC1)CC(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-25(16-21(28)26-13-7-8-14-26)15-20(27)22-18-11-5-6-12-19(18)24-23(22)17-9-3-2-4-10-17/h2-6,9-12,24H,7-8,13-16H2,1H3
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n/an/a 5.75E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50133682
PNG
(CHEMBL3633656)
Show SMILES COc1ccc(cc1)-c1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N1CCOCC1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
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n/an/a 5.75E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accu...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133680
PNG
(CHEMBL3633654)
Show SMILES COc1ccc2[nH]c(c(C(=O)CN(C)CC(=O)N3CCOCC3)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-10-12-31-13-11-27)15-21(28)23-19-14-18(30-2)8-9-20(19)25-24(23)17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3
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n/an/a 6.61E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
G-protein coupled receptor family C group 6 member A


(Mus musculus)		BDBM50133680
PNG
(CHEMBL3633654)
Show SMILES COc1ccc2[nH]c(c(C(=O)CN(C)CC(=O)N3CCOCC3)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O4/c1-26(16-22(29)27-10-12-31-13-11-27)15-21(28)23-19-14-18(30-2)8-9-20(19)25-24(23)17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3
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UniChem

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Article
PubMed
n/an/a 6.61E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulat...

J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein G(o) subunit alpha


(Rattus norvegicus)		BDBM50468899
PNG
(CHEMBL4286619)
Show SMILES CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level ...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair
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