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PubMed code 23685178

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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-1


(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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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha1 (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-1


(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 |r|
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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PubMed
n/an/a 2.59E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha1 (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))
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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PubMed
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-1


(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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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Modulation of recombinant GlyR-alpha1 (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 |r|
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
PDB
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Article
PubMed
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
* indicates data uncertainty>20%