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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Glycine receptor (alpha-1/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 (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCC#C
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232896
PNG
(CHEMBL4079657)
Show SMILES C=CCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H25N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h2-7,15,18-19,21-22H,1,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232890
PNG
(CHEMBL4102677)
Show SMILES CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C22H23N3O3/c1-27-23-18-19-17-13-10-16-22(7-8-24(16)11-12(13)6-9-28-19)14-4-2-3-5-15(14)25(20(17)22)21(18)26/h2-6,13,16-17,19-20H,7-11H2,1H3/b23-18+/t13-,16-,17-,19+,20-,22+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | STRYCHNINE | Strychnine)
Show SMILES O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232885
PNG
(CHEMBL4089150)
Show SMILES O\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C21H21N3O3/c25-20-17(22-26)18-16-12-9-15-21(6-7-23(15)10-11(12)5-8-27-18)13-3-1-2-4-14(13)24(20)19(16)21/h1-5,12,15-16,18-19,26H,6-10H2/b22-17+/t12-,15-,16-,18+,19-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232884
PNG
(CHEMBL4060962)
Show SMILES Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232897
PNG
(CHEMBL4068867)
Show SMILES CCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H27N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h3-7,15,18-19,21-22H,2,8-13H2,1H3/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232896
PNG
(CHEMBL4079657)
Show SMILES C=CCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H25N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h2-7,15,18-19,21-22H,1,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232896
PNG
(CHEMBL4079657)
Show SMILES C=CCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H25N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h2-7,15,18-19,21-22H,1,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | STRYCHNINE | Strychnine)
Show SMILES O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | STRYCHNINE | Strychnine)
Show SMILES O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232890
PNG
(CHEMBL4102677)
Show SMILES CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C22H23N3O3/c1-27-23-18-19-17-13-10-16-22(7-8-24(16)11-12(13)6-9-28-19)14-4-2-3-5-15(14)25(20(17)22)21(18)26/h2-6,13,16-17,19-20H,7-11H2,1H3/b23-18+/t13-,16-,17-,19+,20-,22+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232885
PNG
(CHEMBL4089150)
Show SMILES O\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C21H21N3O3/c25-20-17(22-26)18-16-12-9-15-21(6-7-23(15)10-11(12)5-8-27-18)13-3-1-2-4-14(13)24(20)19(16)21/h1-5,12,15-16,18-19,26H,6-10H2/b22-17+/t12-,15-,16-,18+,19-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232890
PNG
(CHEMBL4102677)
Show SMILES CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C22H23N3O3/c1-27-23-18-19-17-13-10-16-22(7-8-24(16)11-12(13)6-9-28-19)14-4-2-3-5-15(14)25(20(17)22)21(18)26/h2-6,13,16-17,19-20H,7-11H2,1H3/b23-18+/t13-,16-,17-,19+,20-,22+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232885
PNG
(CHEMBL4089150)
Show SMILES O\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C21H21N3O3/c25-20-17(22-26)18-16-12-9-15-21(6-7-23(15)10-11(12)5-8-27-18)13-3-1-2-4-14(13)24(20)19(16)21/h1-5,12,15-16,18-19,26H,6-10H2/b22-17+/t12-,15-,16-,18+,19-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCC#C
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232884
PNG
(CHEMBL4060962)
Show SMILES Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232884
PNG
(CHEMBL4060962)
Show SMILES Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16-,17-,19-,20-,21+/m0/s1
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The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232891
PNG
(CHEMBL4086212)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-27-24(29-34-16-17-6-2-1-3-7-17)25-23-19-14-22-28(11-12-30(22)15-18(19)10-13-33-25)20-8-4-5-9-21(20)31(27)26(23)28/h1-10,19,22-23,25-26H,11-16H2/b29-24+/t19-,22-,23-,25+,26-,28+/m0/s1
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n/an/a 309n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232891
PNG
(CHEMBL4086212)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCc1ccccc1
Show InChI InChI=1S/C28H27N3O3/c32-27-24(29-34-16-17-6-2-1-3-7-17)25-23-19-14-22-28(11-12-30(22)15-18(19)10-13-33-25)20-8-4-5-9-21(20)31(27)26(23)28/h1-10,19,22-23,25-26H,11-16H2/b29-24+/t19-,22-,23-,25+,26-,28+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232888
PNG
(CHEMBL4096857)
Show SMILES CCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-2-20(28)25-14-3-4-17-16(9-14)24-6-7-26-12-13-5-8-30-18-11-21(29)27(17)23(24)22(18)15(13)10-19(24)26/h3-5,9,15,18-19,22-23H,2,6-8,10-12H2,1H3,(H,25,28)/t15-,18-,19-,22-,23-,24+/m0/s1
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n/an/a 311n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232897
PNG
(CHEMBL4068867)
Show SMILES CCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H27N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h3-7,15,18-19,21-22H,2,8-13H2,1H3/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232897
PNG
(CHEMBL4068867)
Show SMILES CCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H27N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h3-7,15,18-19,21-22H,2,8-13H2,1H3/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
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n/an/a 355n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232887
PNG
(CHEMBL4096505)
Show SMILES COC(=O)CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H25N3O5/c1-30-18(28)12-32-25-20-21-19-14-10-17-24(7-8-26(17)11-13(14)6-9-31-21)15-4-2-3-5-16(15)27(22(19)24)23(20)29/h2-6,14,17,19,21-22H,7-12H2,1H3/b25-20+/t14-,17-,19-,21+,22-,24+/m0/s1
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n/an/a 661n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232887
PNG
(CHEMBL4096505)
Show SMILES COC(=O)CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C24H25N3O5/c1-30-18(28)12-32-25-20-21-19-14-10-17-24(7-8-26(17)11-13(14)6-9-31-21)15-4-2-3-5-16(15)27(22(19)24)23(20)29/h2-6,14,17,19,21-22H,7-12H2,1H3/b25-20+/t14-,17-,19-,21+,22-,24+/m0/s1
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n/an/a 670n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232895
PNG
(CHEMBL4087535)
Show SMILES CCCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C26H31N3O3/c1-2-3-6-12-32-27-22-23-21-17-14-20-26(10-11-28(20)15-16(17)9-13-31-23)18-7-4-5-8-19(18)29(24(21)26)25(22)30/h4-5,7-9,17,20-21,23-24H,2-3,6,10-15H2,1H3/b27-22+/t17-,20-,21-,23+,24-,26+/m0/s1
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n/an/a 708n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232895
PNG
(CHEMBL4087535)
Show SMILES CCCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C26H31N3O3/c1-2-3-6-12-32-27-22-23-21-17-14-20-26(10-11-28(20)15-16(17)9-13-31-23)18-7-4-5-8-19(18)29(24(21)26)25(22)30/h4-5,7-9,17,20-21,23-24H,2-3,6,10-15H2,1H3/b27-22+/t17-,20-,21-,23+,24-,26+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232892
PNG
(CHEMBL4066164)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCCc1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-28-25(30-35-15-10-18-6-2-1-3-7-18)26-24-20-16-23-29(12-13-31(23)17-19(20)11-14-34-26)21-8-4-5-9-22(21)32(28)27(24)29/h1-9,11,20,23-24,26-27H,10,12-17H2/b30-25+/t20-,23-,24-,26+,27-,29+/m0/s1
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n/an/a 776n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232892
PNG
(CHEMBL4066164)
Show SMILES O=C1N2[C@H]3[C@H]4[C@H]5C[C@@H]6N(CC[C@]36c3ccccc23)CC5=CCO[C@H]4\C1=N/OCCc1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-28-25(30-35-15-10-18-6-2-1-3-7-18)26-24-20-16-23-29(12-13-31(23)17-19(20)11-14-34-26)21-8-4-5-9-22(21)32(28)27(24)29/h1-9,11,20,23-24,26-27H,10,12-17H2/b30-25+/t20-,23-,24-,26+,27-,29+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232883
PNG
(CHEMBL4096154)
Show SMILES CCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C25H29N3O3/c1-2-3-11-31-26-21-22-20-16-13-19-25(9-10-27(19)14-15(16)8-12-30-22)17-6-4-5-7-18(17)28(23(20)25)24(21)29/h4-8,16,19-20,22-23H,2-3,9-14H2,1H3/b26-21+/t16-,19-,20-,22+,23-,25+/m0/s1
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n/an/a 871n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232883
PNG
(CHEMBL4096154)
Show SMILES CCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C25H29N3O3/c1-2-3-11-31-26-21-22-20-16-13-19-25(9-10-27(19)14-15(16)8-12-30-22)17-6-4-5-7-18(17)28(23(20)25)24(21)29/h4-8,16,19-20,22-23H,2-3,9-14H2,1H3/b26-21+/t16-,19-,20-,22+,23-,25+/m0/s1
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n/an/a 880n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232888
PNG
(CHEMBL4096857)
Show SMILES CCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-2-20(28)25-14-3-4-17-16(9-14)24-6-7-26-12-13-5-8-30-18-11-21(29)27(17)23(24)22(18)15(13)10-19(24)26/h3-5,9,15,18-19,22-23H,2,6-8,10-12H2,1H3,(H,25,28)/t15-,18-,19-,22-,23-,24+/m0/s1
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n/an/a 933n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232888
PNG
(CHEMBL4096857)
Show SMILES CCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-2-20(28)25-14-3-4-17-16(9-14)24-6-7-26-12-13-5-8-30-18-11-21(29)27(17)23(24)22(18)15(13)10-19(24)26/h3-5,9,15,18-19,22-23H,2,6-8,10-12H2,1H3,(H,25,28)/t15-,18-,19-,22-,23-,24+/m0/s1
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n/an/a 940n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232894
PNG
(CHEMBL4060206)
Show SMILES CC(C)CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C25H29N3O3/c1-14(2)13-31-26-21-22-20-16-11-19-25(8-9-27(19)12-15(16)7-10-30-22)17-5-3-4-6-18(17)28(23(20)25)24(21)29/h3-7,14,16,19-20,22-23H,8-13H2,1-2H3/b26-21+/t16-,19-,20-,22+,23-,25+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232894
PNG
(CHEMBL4060206)
Show SMILES CC(C)CO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C25H29N3O3/c1-14(2)13-31-26-21-22-20-16-11-19-25(8-9-27(19)12-15(16)7-10-30-22)17-5-3-4-6-18(17)28(23(20)25)24(21)29/h3-7,14,16,19-20,22-23H,8-13H2,1-2H3/b26-21+/t16-,19-,20-,22+,23-,25+/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232882
PNG
(CHEMBL4061219)
Show SMILES COC(=O)CCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C27H31N3O5/c1-33-21(31)8-4-5-12-35-28-23-24-22-17-14-20-27(10-11-29(20)15-16(17)9-13-34-24)18-6-2-3-7-19(18)30(25(22)27)26(23)32/h2-3,6-7,9,17,20,22,24-25H,4-5,8,10-15H2,1H3/b28-23+/t17-,20-,22-,24+,25-,27+/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232882
PNG
(CHEMBL4061219)
Show SMILES COC(=O)CCCCO\N=C1/[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N(c2ccccc62)C1=O
Show InChI InChI=1S/C27H31N3O5/c1-33-21(31)8-4-5-12-35-28-23-24-22-17-14-20-27(10-11-29(20)15-16(17)9-13-34-24)18-6-2-3-7-19(18)30(25(22)27)26(23)32/h2-3,6-7,9,17,20,22,24-25H,4-5,8,10-15H2,1H3/b28-23+/t17-,20-,22-,24+,25-,27+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232886
PNG
(CHEMBL4069635)
Show SMILES [Br-].CCC[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N(c3ccccc43)C(=O)C[C@@H]5OCC=C1C2
Show InChI InChI=1S/C24H29N2O2.BrH/c1-2-9-26-10-8-24-17-5-3-4-6-18(17)25-21(27)13-19-22(23(24)25)16(12-20(24)26)15(14-26)7-11-28-19;/h3-7,16,19-20,22-23H,2,8-14H2,1H3;1H/q+1;/p-1/t16-,19-,20-,22-,23-,24+,26?;/m0./s1
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n/an/a 6.53E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232893
PNG
(CHEMBL4084751)
Show SMILES O=C1C[C@@]23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N(c2ccccc32)C(=O)C[C@@H]6OCC=C5CN14
Show InChI InChI=1S/C21H20N2O3/c24-17-8-15-19-12-7-16-21(9-18(25)22(16)10-11(12)5-6-26-15)13-3-1-2-4-14(13)23(17)20(19)21/h1-5,12,15-16,19-20H,6-10H2/t12-,15-,16-,19-,20-,21+/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232893
PNG
(CHEMBL4084751)
Show SMILES O=C1C[C@@]23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N(c2ccccc32)C(=O)C[C@@H]6OCC=C5CN14
Show InChI InChI=1S/C21H20N2O3/c24-17-8-15-19-12-7-16-21(9-18(25)22(16)10-11(12)5-6-26-15)13-3-1-2-4-14(13)23(17)20(19)21/h1-5,12,15-16,19-20H,6-10H2/t12-,15-,16-,19-,20-,21+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232886
PNG
(CHEMBL4069635)
Show SMILES [Br-].CCC[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N(c3ccccc43)C(=O)C[C@@H]5OCC=C1C2
Show InChI InChI=1S/C24H29N2O2.BrH/c1-2-9-26-10-8-24-17-5-3-4-6-18(17)25-21(27)13-19-22(23(24)25)16(12-20(24)26)15(14-26)7-11-28-19;/h3-7,16,19-20,22-23H,2,8-14H2,1H3;1H/q+1;/p-1/t16-,19-,20-,22-,23-,24+,26?;/m0./s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232886
PNG
(CHEMBL4069635)
Show SMILES [Br-].CCC[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N(c3ccccc43)C(=O)C[C@@H]5OCC=C1C2
Show InChI InChI=1S/C24H29N2O2.BrH/c1-2-9-26-10-8-24-17-5-3-4-6-18(17)25-21(27)13-19-22(23(24)25)16(12-20(24)26)15(14-26)7-11-28-19;/h3-7,16,19-20,22-23H,2,8-14H2,1H3;1H/q+1;/p-1/t16-,19-,20-,22-,23-,24+,26?;/m0./s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
More data for this
Ligand-Target Pair