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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Glycine receptor alpha-3/beta' AND taxid = 9606   
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
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50316020
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O
Show InChI InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16?/t19-,20?,25?/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Bioorg Med Chem 18: 2912-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.002
BindingDB Entry DOI: 10.7270/Q2Q240DQ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50316016
PNG
(CHEMBL1093848 | ircinialactam C)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)CC(O)=O
Show InChI InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)15-21(25)26)7-4-8-18(2)10-6-12-20-13-14-24(23(20)29)16-22(27)28/h7,10,13,19H,4-6,8-9,11-12,14-16H2,1-3H3,(H,25,26)(H,27,28)/b17-7+,18-10+/t19-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Bioorg Med Chem 18: 2912-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.002
BindingDB Entry DOI: 10.7270/Q2Q240DQ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50316017
PNG
(CHEMBL1092618 | ent-ircinialactam C)
Show SMILES C[C@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)CC(O)=O
Show InChI InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)15-21(25)26)7-4-8-18(2)10-6-12-20-13-14-24(23(20)29)16-22(27)28/h7,10,13,19H,4-6,8-9,11-12,14-16H2,1-3H3,(H,25,26)(H,27,28)/b17-7+,18-10+/t19-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Bioorg Med Chem 18: 2912-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.002
BindingDB Entry DOI: 10.7270/Q2Q240DQ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50316018
PNG
(CHEMBL1092619 | ircinialactam D)
Show SMILES CCOC(=O)C(O)(C[C@@H](C)CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)C(C)(O)C(O)=O
Show InChI InChI=1S/C29H45NO9/c1-6-39-27(36)29(38,28(5,37)26(34)35)18-22(4)14-8-12-20(2)10-7-11-21(3)13-9-15-23-16-17-30(25(23)33)19-24(31)32/h10,13,16,22,37-38H,6-9,11-12,14-15,17-19H2,1-5H3,(H,31,32)(H,34,35)/b20-10+,21-13+/t22-,28?,29?/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Bioorg Med Chem 18: 2912-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.002
BindingDB Entry DOI: 10.7270/Q2Q240DQ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50316019
PNG
(CHEMBL1093582 | ircinialactam A)
Show SMILES C[C@@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)C=C1OC(=O)C(C)C1=O
Show InChI InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30/h8,11,14,16,20-21H,5-7,9-10,12-13,15,17H2,1-4H3,(H,29,30)/b18-8+,19-11+,23-16?/t20-,21?/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Bioorg Med Chem 18: 2912-9 (2010)


Article DOI: 10.1016/j.bmc.2010.03.002
BindingDB Entry DOI: 10.7270/Q2Q240DQ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50436164
PNG
(CHEMBL2398352)
Show SMILES CN1C(=O)NC(=O)\C1=C/c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H11N3O2/c1-16-11(12(17)15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,14H,1H3,(H,15,17,18)/b11-6+
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n/an/a 3.39E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha3 (unknown origin) expressed in HEK293 cells assessed as inhibition of glycine-induced current by automated plana...


Bioorg Med Chem 21: 4420-5 (2013)


Article DOI: 10.1016/j.bmc.2013.04.061
BindingDB Entry DOI: 10.7270/Q2XD132N
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50436166
PNG
(CHEMBL2398350)
Show SMILES CN1C(=O)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,1-2H3/b12-7+
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n/an/a 6.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha3 (unknown origin) expressed in HEK293 cells assessed as inhibition of glycine-induced current by automated plana...


Bioorg Med Chem 21: 4420-5 (2013)


Article DOI: 10.1016/j.bmc.2013.04.061
BindingDB Entry DOI: 10.7270/Q2XD132N
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50436165
PNG
(CHEMBL2398351)
Show SMILES CN1C(=[NH2+])N(C)[C@]2(Cc3c([nH]c4ccccc34)[C@@]3([C@H]2c2c[nH]c4ccccc24)N(C)C(=[NH2+])N(C)C3=O)C1=O
Show InChI InChI=1S/C28H28N8O2/c1-33-23(37)27(35(3)25(33)29)13-17-15-9-6-8-12-20(15)32-22(17)28(24(38)34(2)26(30)36(28)4)21(27)18-14-31-19-11-7-5-10-16(18)19/h5-12,14,21,29-32H,13H2,1-4H3/p+2/t21-,27-,28+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha3 (unknown origin) expressed in HEK293 cells assessed as inhibition of glycine-induced current by automated plana...


Bioorg Med Chem 21: 4420-5 (2013)


Article DOI: 10.1016/j.bmc.2013.04.061
BindingDB Entry DOI: 10.7270/Q2XD132N
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES CN1C(=O)[C@@H]2CN(C[C@@H]2c2cnccc12)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 450n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in ch...


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229714
PNG
(CHEMBL4101556)
Show SMILES CN1C(=O)[C@H]2CN(C[C@H]2c2cnccc12)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in ch...


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229713
PNG
(CHEMBL4081234)
Show SMILES C[C@@H]1[C@@H]2[C@H](CN1S(=O)(=O)c1ccc3OCOc3c1)c1cnccc1N(C)C2=O
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14-,18-/m1/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES CN1C(=O)[C@@H]2CN(C[C@@H]2c2cnccc12)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
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n/an/an/a 190n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229714
PNG
(CHEMBL4101556)
Show SMILES CN1C(=O)[C@H]2CN(C[C@H]2c2cnccc12)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m0/s1
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n/an/an/a>2.00E+4n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229713
PNG
(CHEMBL4081234)
Show SMILES C[C@@H]1[C@@H]2[C@H](CN1S(=O)(=O)c1ccc3OCOc3c1)c1cnccc1N(C)C2=O
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14-,18-/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in ch...


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c1ccc3OCOc3c1)c1cnccc1N(C)C2=O
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair
Glycine receptor alpha-3/beta


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c1ccc3OCOc3c1)c1cnccc1N(C)C2=O
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in ch...


J Med Chem 60: 1105-1125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01496
More data for this
Ligand-Target Pair