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PubMed code 26525866

Compile data set for download or QSAR
Found 7 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
Glutamate receptor ionotropic, NMDA 1/2C


(RAT-Rattus norvegicus (Rat))
BDBM50134218
PNG
(CHEMBL3741652)
Show SMILES CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CC(CC)CCc12
Show InChI InChI=1S/C18H23N3O4S2/c1-3-9-5-6-10-11(7-9)26-16(14(10)17(24)25-4-2)20-13(22)8-12-15(23)21-18(19)27-12/h9,12H,3-8H2,1-2H3,(H,20,22)(H2,19,21,23)
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2C receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50135179
PNG
(CHEMBL568556)
Show SMILES CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CCCCc12
Show InChI InChI=1S/C16H19N3O4S2/c1-2-23-15(22)12-8-5-3-4-6-9(8)24-14(12)18-11(20)7-10-13(21)19-16(17)25-10/h10H,2-7H2,1H3,(H,18,20)(H2,17,19,21)
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50134214
PNG
(CHEMBL3740292)
Show SMILES CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2COCCc12
Show InChI InChI=1S/C15H17N3O5S2/c1-2-23-14(21)11-7-3-4-22-6-9(7)24-13(11)17-10(19)5-8-12(20)18-15(16)25-8/h8H,2-6H2,1H3,(H,17,19)(H2,16,18,20)
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50134216
PNG
(CHEMBL3740010)
Show SMILES CCOC(=O)c1c2CCC(F)(F)Cc2sc1NC(=O)CC1SC(=N)NC1=O
Show InChI InChI=1S/C16H17F2N3O4S2/c1-2-25-14(24)11-7-3-4-16(17,18)6-9(7)26-13(11)20-10(22)5-8-12(23)21-15(19)27-8/h8H,2-6H2,1H3,(H,20,22)(H2,19,21,23)
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Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50134215
PNG
(CHEMBL3740638)
Show SMILES CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CSCCc12
Show InChI InChI=1S/C15H17N3O4S3/c1-2-22-14(21)11-7-3-4-23-6-9(7)24-13(11)17-10(19)5-8-12(20)18-15(16)25-8/h8H,2-6H2,1H3,(H,17,19)(H2,16,18,20)
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PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50134217
PNG
(CHEMBL3740320)
Show SMILES CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2CC(C)(C)CCc12
Show InChI InChI=1S/C18H23N3O4S2/c1-4-25-16(24)13-9-5-6-18(2,3)8-11(9)26-15(13)20-12(22)7-10-14(23)21-17(19)27-10/h10H,4-8H2,1-3H3,(H,20,22)(H2,19,21,23)
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Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50135181
PNG
(CHEMBL3740575)
Show SMILES CCc1c(C)sc(NC(=O)CC2SC(=N)NC2=O)c1C(=O)OC
Show InChI InChI=1S/C14H17N3O4S2/c1-4-7-6(2)22-12(10(7)13(20)21-3)16-9(18)5-8-11(19)17-14(15)23-8/h8H,4-5H2,1-3H3,(H,16,18)(H2,15,17,19)
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PC cid
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Article
PubMed
n/an/a 4.38E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat GluN1a/GluN2B receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 u...


Bioorg Med Chem Lett 25: 5583-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.046
BindingDB Entry DOI: 10.7270/Q2BK1F61
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%