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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 319.4
BDBM50078480
Wt: 302.4
BDBM50086368
Wt: 347.5
BDBM50086369
Wt: 325.5
BDBM50086370
Wt: 333.5
BDBM50086373
Wt: 316.4
BDBM50086375
Wt: 301.4
BDBM50086377
Wt: 330.4
BDBM50086381
Wt: 311.4
BDBM50086382
Wt: 327.4
BDBM50086383
Wt: 331.4
BDBM50086384
Wt: 316.4
BDBM50086385
Wt: 334.5
BDBM50086386
Wt: 317.4
BDBM50086387
Wt: 315.4
BDBM50086388
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 52 hits in this display   
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 [NMDA] receptor


(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 35n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 70n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 100n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 100n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 130n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 150n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
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 170n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
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 170n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat NR1A/2B receptor expressed in Xenopus oocytes


J Med Chem 42: 2469-77 (1999)


Article DOI: 10.1021/jm990148x
BindingDB Entry DOI: 10.7270/Q24B30H5
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 210n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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 290n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat using [3H]-raclopride as radioligand


J Med Chem 42: 2469-77 (1999)


Article DOI: 10.1021/jm990148x
BindingDB Entry DOI: 10.7270/Q24B30H5
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 610n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 630n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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n/an/a 630n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 930n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 4.30E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 4.80E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 6.40E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 3.50E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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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/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 7.70E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 7.70E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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 8.50E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
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



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2C N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
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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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)


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(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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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against NR1A/2A receptors in frog oocytes


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


Article DOI: 10.1016/s0960-894x(00)00035-4
BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
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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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2A N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
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