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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Ionotropic glutamate receptor NMDA 1/2C' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086374
PNG
(2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-1H-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3S/c1-2-7-18(8-3-1)17-19-11-14-25(15-12-19)13-6-16-26-22-23-20-9-4-5-10-21(20)24-22/h1-5,7-10,19H,6,11-17H2,(H,23,24)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086372
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-[1,...)
Show SMILES Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C17H24N4S2/c18-16-19-20-17(23-16)22-12-4-9-21-10-7-15(8-11-21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086371
PNG
(2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-5-n...)
Show SMILES [O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086375
PNG
(4-Benzyl-1-[2-(5-methyl-2H-[1,2,4]triazol-3-ylsulf...)
Show SMILES Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
Show InChI InChI=1S/C17H24N4S/c1-14-18-17(20-19-14)22-12-11-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086368
PNG
(4-Benzyl-1-[2-(2H-[1,2,4]triazol-3-ylsulfanyl)-eth...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Sc1nnc[nH]1
Show InChI InChI=1S/C16H22N4S/c1-2-4-14(5-3-1)12-15-6-8-20(9-7-15)10-11-21-16-17-13-18-19-16/h1-5,13,15H,6-12H2,(H,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086380
PNG
(2-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-3H-...)
Show SMILES C(CSc1nc2ncccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N4S/c1-2-6-17(7-3-1)16-18-9-13-25(14-10-18)12-5-15-26-21-23-19-8-4-11-22-20(19)24-21/h1-4,6-8,11,18H,5,9-10,12-16H2,(H,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086370
PNG
(4-Benzyl-1-(3-phenylsulfanyl-propyl)-piperidine | ...)
Show SMILES C(CSc1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NS/c1-3-8-19(9-4-1)18-20-12-15-22(16-13-20)14-7-17-23-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50078480
PNG
(4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...)
Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086383
PNG
(4-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-phen...)
Show SMILES Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NOS/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086388
PNG
(4-Benzyl-1-[3-(1H-imidazol-2-ylsulfanyl)-propyl]-p...)
Show SMILES C(CSc1ncc[nH]1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H25N3S/c1-2-5-16(6-3-1)15-17-7-12-21(13-8-17)11-4-14-22-18-19-9-10-20-18/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086373
PNG
(4-Benzyl-1-[2-(5-methyl-[1,3,4]thiadiazol-2-ylsulf...)
Show SMILES Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C17H23N3S2/c1-14-18-19-17(22-14)21-12-11-20-9-7-16(8-10-20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086386
PNG
(5-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-[1,3...)
Show SMILES Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C16H22N4S2/c17-15-18-19-16(22-15)21-11-10-20-8-6-14(7-9-20)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086378
PNG
(2-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-3H-i...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ncccc2[nH]1
Show InChI InChI=1S/C20H24N4S/c1-2-5-16(6-3-1)15-17-8-11-24(12-9-17)13-14-25-20-22-18-7-4-10-21-19(18)23-20/h1-7,10,17H,8-9,11-15H2,(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086376
PNG
(2-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-1H-b...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H25N3S/c1-2-6-17(7-3-1)16-18-10-12-24(13-11-18)14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-9,18H,10-16H2,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086384
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-1H-...)
Show SMILES Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
Show InChI InChI=1S/C17H25N5S/c18-16-19-17(21-20-16)23-12-4-9-22-10-7-15(8-11-22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H3,18,19,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086387
PNG
(5-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-1H-[...)
Show SMILES Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
Show InChI InChI=1S/C16H23N5S/c17-15-18-16(20-19-15)22-11-10-21-8-6-14(7-9-21)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H3,17,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086369
PNG
(2-(3-(4-benzylpiperidin-1-yl)propylthio)-5-methyl-...)
Show SMILES Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C18H25N3S2/c1-15-19-20-18(23-15)22-13-5-10-21-11-8-17(9-12-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086385
PNG
(4-Benzyl-1-[3-(2H-[1,2,4]triazol-3-ylsulfanyl)-pro...)
Show SMILES C(CSc1nnc[nH]1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H24N4S/c1-2-5-15(6-3-1)13-16-7-10-21(11-8-16)9-4-12-22-17-18-14-19-20-17/h1-3,5-6,14,16H,4,7-13H2,(H,18,19,20)
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086382
PNG
(4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine | C...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Sc1ccccc1
Show InChI InChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086379
PNG
(2-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-5-ni...)
Show SMILES [O-][N+](=O)c1ccc2nc(SCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C21H24N4O2S/c26-25(27)18-6-7-19-20(15-18)23-21(22-19)28-13-12-24-10-8-17(9-11-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086381
PNG
(4-Benzyl-1-[3-(5-methyl-2H-[1,2,4]triazol-3-ylsulf...)
Show SMILES Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
Show InChI InChI=1S/C18H26N4S/c1-15-19-18(21-20-15)23-13-5-10-22-11-8-17(9-12-22)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens)
BDBM50086377
PNG
(4-Benzyl-1-[2-(1H-imidazol-2-ylsulfanyl)-ethyl]-pi...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Sc1ncc[nH]1
Show InChI InChI=1S/C17H23N3S/c1-2-4-15(5-3-1)14-16-6-10-20(11-7-16)12-13-21-17-18-8-9-19-17/h1-5,8-9,16H,6-7,10-14H2,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2C receptor in frog oocytes


Bioorg Med Chem Lett 10: 527-9 (2000)

More data for this
Ligand-Target Pair