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Compile Data Set for Download or QSAR

Found 34 hits of ec50 for UniProtKB: P23415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50459971
PNG
(CHEMBL4227144)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C18H25NO3/c1-11(2)14-5-13(6-15(12(3)4)16(14)20)17(21)19-7-18(8-19)9-22-10-18/h5-6,11-12,20H,7-10H2,1-4H3
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n/an/an/an/a 0.000160n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potentiation of glycine-induced response


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM198936
PNG
(US9676786, example 5)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(O)=O
Show InChI InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)
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n/an/an/an/a 0.000160n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


US Patent US9676786 (2017)


BindingDB Entry DOI: 10.7270/Q22R3PVF
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM199088
PNG
(US9676786, example 6)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3
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n/an/an/an/a 0.00120n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potentiation of glycine-induced response


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM199088
PNG
(US9676786, example 6)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N2O2/c1-12(2)15-10-14(11-16(13(3)4)17(15)21)18(22)20-8-6-19(5)7-9-20/h10-13,21H,6-9H2,1-5H3
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n/an/an/an/a 0.00120n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


US Patent US9676786 (2017)


BindingDB Entry DOI: 10.7270/Q22R3PVF
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM198933
PNG
(US9676786, example 2)
Show SMILES CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(Cl)=O
Show InChI InChI=1S/C20H23ClO2/c1-13(2)17-10-16(20(21)22)11-18(14(3)4)19(17)23-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
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n/an/an/an/a 0.0600n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


US Patent US9676786 (2017)


BindingDB Entry DOI: 10.7270/Q22R3PVF
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50459968
PNG
(CHEMBL4228372)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCO[C@H](C)C1 |r|
Show InChI InChI=1S/C18H27NO3/c1-11(2)15-8-14(9-16(12(3)4)17(15)20)18(21)19-6-7-22-13(5)10-19/h8-9,11-13,20H,6-7,10H2,1-5H3/t13-/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potentiation of glycine-induced response


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50459970
PNG
(CHEMBL4227297)
Show SMILES CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CC(F)C1
Show InChI InChI=1S/C16H22FNO2/c1-9(2)13-5-11(6-14(10(3)4)15(13)19)16(20)18-7-12(17)8-18/h5-6,9-10,12,19H,7-8H2,1-4H3
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n/an/an/an/a 0.430n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potentiation of glycine-induced response


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM198934
PNG
(US9676786, example 3)
Show SMILES CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C23H28FNO2/c1-15(2)20-10-18(23(26)25-12-19(24)13-25)11-21(16(3)4)22(20)27-14-17-8-6-5-7-9-17/h5-11,15-16,19H,12-14H2,1-4H3
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n/an/an/an/a 0.430n/an/an/an/a



THE UNIVERSITY OF LIVERPOOL

US Patent


Assay Description
Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit...


US Patent US9676786 (2017)


BindingDB Entry DOI: 10.7270/Q22R3PVF
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
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 16n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
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 32n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
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 171n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
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 171n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GlyRalpha1beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium ...


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50464255
PNG
(CHEMBL4083687)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1ccccc1N(C)C2=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H18N2O5S/c1-20-16-5-3-2-4-13(16)14-9-21(10-15(14)19(20)22)27(23,24)12-6-7-17-18(8-12)26-11-25-17/h2-8,14-15H,9-11H2,1H3/t14-,15-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GlyRalpha1beta assessed as increase in glycine-induced chloride ion flux by FLIPR assay


Eur J Med Chem 137: 63-75 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.036
BindingDB Entry DOI: 10.7270/Q2H134PC
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/an/an/a 320n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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n/an/an/an/a 320n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
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 327n/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GlyRalpha1 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-...


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
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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Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50340481
PNG
(Avodart | CHEMBL1200969 | DUTASTERIDE | GG-745 | G...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |r,c:12|
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
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n/an/an/an/a 330n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50012899
PNG
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|
Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 380n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50030475
PNG
(7-Dehydrocholesterol | CHEBI:28940 | Cholecalcifer...)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C |r|
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50316015
PNG
(8-hydroxyircinialactam B | CHEMBL1093847)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(=O)N(CC(O)=O)C1)C=C1OC(=O)C(C)C1=O |r,w:27.28,t:16|
Show InChI InChI=1S/C27H39NO7/c1-18(8-5-9-19(2)14-22-25(32)20(3)26(33)35-22)10-6-12-27(4,34)13-7-11-21-15-23(29)28(16-21)17-24(30)31/h10,14-15,19-20,34H,5-9,11-13,16-17H2,1-4H3,(H,30,31)/b18-10+,22-14?/t19-,20?,27?/m0/s1
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n/an/an/an/a 500n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha 1 GlyR expressed in HEK293 cells assessed as potentiation of glycine current by whole cell patch clamp as...


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-1


(Homo sapiens (Human))
BDBM50459893
PNG
(Gelsemine)
Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|
Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human glycine receptor alpha1 expressed in HEK293 cells assessed as increase in glycine-induced current...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50464234
PNG
(CHEMBL4284872)
Show SMILES COc1ccc(Cl)cc1OC1CN(C1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C17H15ClN2O6S/c1-24-14-5-2-10(18)6-16(14)25-11-8-20(9-11)27(22,23)12-3-4-13-15(7-12)26-17(21)19-13/h2-7,11H,8-9H2,1H3,(H,19,21)
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n/an/an/an/a 600n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GlyRalpha1beta assessed as increase in glycine-induced chloride ion flux by FLIPR assay


Eur J Med Chem 137: 63-75 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.036
BindingDB Entry DOI: 10.7270/Q2H134PC
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(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 |r,w:22.23|
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/an/an/a 1.20E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha 1 GlyR expressed in HEK293 cells assessed as potentiation of glycine current by whole cell patch clamp as...


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-1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/an/an/a 1.70E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50022889
PNG
((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...)
Show SMILES OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
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n/an/an/an/a 2.50E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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n/an/an/an/a 3.20E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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n/an/an/an/a 4.20E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50249032
PNG
(CHEBI:28645 | Dietade Dietary Foods | Fructose | L...)
Show SMILES OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
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n/an/an/an/a 1.26E+4n/an/an/an/a



IntelliSyn Pharma

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at recombinant human glycine alpha1 receptor expressed in HEK293 cells assessed as potentiation of glycine-in...


Bioorg Med Chem Lett 27: 2239-2258 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.084
BindingDB Entry DOI: 10.7270/Q2VT1VJJ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM18133
PNG
(2-aminoacetic acid | CHEMBL773 | Glycine | [14C]Gl...)
Show SMILES NCC(O)=O
Show InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
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n/an/an/an/a 9.55E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human glycine alpha-1 receptor in HEK293 cells by FMP assay


J Med Chem 50: 4616-29 (2007)


Article DOI: 10.1021/jm070574f
BindingDB Entry DOI: 10.7270/Q2J67HRC
More data for this
Ligand-Target Pair