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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'konkoy' and Initial = 'cs'   
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


(Homo sapiens (Human))
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 5.30n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
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n/an/a 6.10n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091636
PNG
(5-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22FN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 8.20n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091647
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-di...)
Show SMILES S=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3S/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 16n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091632
PNG
(5-{3-[4-(4-Methyl-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C23H25N3O/c1-17-4-6-19(7-5-17)15-20-10-13-26(14-11-20)12-2-3-18-8-9-21-22(16-18)25-23(27)24-21/h4-9,16,20H,10-15H2,1H3,(H2,24,25,27)
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n/an/a 17n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091626
PNG
(5-[3-(4-Benzyl-4-hydroxy-piperidin-1-yl)-prop-1-yn...)
Show SMILES OC1(Cc2ccccc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091643
PNG
(5-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Clc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22ClN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50091629
PNG
(5-{3-[4-(4-Fluoro-benzyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(Cc2ccc(F)cc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H22FN3O2/c23-18-6-3-17(4-7-18)15-22(28)9-12-26(13-10-22)11-1-2-16-5-8-19-20(14-16)25-21(27)24-19/h3-8,14,28H,9-13,15H2,(H2,24,25,27)
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n/an/a 24n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50079386
PNG
(4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol | 4-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NO2/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 25n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091628
PNG
(5-{3-[4-(4-Methoxy-benzyl)-piperidin-1-yl]-prop-1-...)
Show SMILES COc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C23H25N3O2/c1-28-20-7-4-18(5-8-20)15-19-10-13-26(14-11-19)12-2-3-17-6-9-21-22(16-17)25-23(27)24-21/h4-9,16,19H,10-15H2,1H3,(H2,24,25,27)
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n/an/a 26n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50079389
PNG
(4-{2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-ethoxy}-...)
Show SMILES Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO2/c1-17-2-4-18(5-3-17)16-19-10-12-22(13-11-19)14-15-24-21-8-6-20(23)7-9-21/h2-9,19,23H,10-16H2,1H3
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n/an/a 28n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50079385
PNG
(1-[2-(4-Hydroxy-phenoxy)-ethyl]-4-(4-methyl-benzyl...)
Show SMILES Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
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n/an/a 43n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091645
PNG
(6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-3H-ben...)
Show SMILES O=c1[nH]c2ccc(cc2o1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H22N2O2/c25-22-23-20-9-8-18(16-21(20)26-22)7-4-12-24-13-10-19(11-14-24)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50079388
PNG
(4-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethoxy}-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C20H24FNO2/c21-18-3-1-16(2-4-18)15-17-9-11-22(12-10-17)13-14-24-20-7-5-19(23)6-8-20/h1-8,17,23H,9-15H2
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091627
PNG
(5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1,3-dih...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O/c27-23-24-21-10-9-19(17-22(21)25-23)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H2,24,25,27)
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n/an/a 89n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50091649
PNG
(6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1-meth...)
Show SMILES Cn1c2cc(ccc2[nH]c1=O)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O/c1-25-22-17-19(9-10-21(22)24-23(25)27)8-5-13-26-14-11-20(12-15-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,17,20H,11-16H2,1H3,(H,24,27)
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n/an/a 98n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2B NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078498
PNG
(4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenol...)
Show SMILES Oc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO/c23-21-10-8-18(9-11-21)7-4-14-22-15-12-20(13-16-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,12-17H2
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n/an/a 100n/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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50078491
PNG
(CHEMBL83938 | N-{4-[4-(4-Benzyl-piperidin-1-yl)-bu...)
Show SMILES CC(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27)
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50078477
PNG
(4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2S/c23-27(25,26)22-11-9-19(10-12-22)6-4-5-15-24-16-13-21(14-17-24)18-20-7-2-1-3-8-20/h1-3,7-12,21H,5,13-18H2,(H2,23,25,26)
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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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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/2B receptor in frog oocytes


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


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM50078498
PNG
(4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenol...)
Show SMILES Oc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO/c23-21-10-8-18(9-11-21)7-4-14-22-15-12-20(13-16-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,12-17H2
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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)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091634
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-di...)
Show SMILES O=C1Cc2cc(ccc2N1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O/c26-23-17-21-16-19(8-9-22(21)24-23)7-4-12-25-13-10-20(11-14-25)15-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,20H,10-15,17H2,(H,24,26)
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n/an/a 110n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091642
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-3H-benz...)
Show SMILES O=c1[nH]c2ccc(cc2o1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O2/c26-23-24-21-10-9-19(17-22(21)27-23)8-4-5-13-25-14-11-20(12-15-25)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,24,26)
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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/2B receptor in frog oocytes


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


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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/2B receptor in frog oocytes


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


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078492
PNG
(CHEMBL312721 | N-{4-[3-(4-Benzyl-piperidin-1-yl)-p...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-27(25,26)23-22-11-9-19(10-12-22)8-5-15-24-16-13-21(14-17-24)18-20-6-3-2-4-7-20/h2-4,6-7,9-12,21,23H,13-18H2,1H3
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B 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 receptor ionotropic, NMDA 2C


(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/2AB N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(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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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 receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091633
PNG
(5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1,3-dih...)
Show SMILES S=c1[nH]c2ccc(cc2[nH]1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3S/c27-23-24-21-10-9-19(17-22(21)25-23)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H2,24,25,27)
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078483
PNG
(4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-benzene...)
Show SMILES Nc1ccc(cc1N)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3/c23-21-10-9-19(17-22(21)24)8-4-5-13-25-14-11-20(12-15-25)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16,23-24H2
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50078497
PNG
(CHEMBL84043 | N-{4-[4-(4-Benzyl-piperidin-1-yl)-bu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2S/c1-28(26,27)24-23-12-10-20(11-13-23)7-5-6-16-25-17-14-22(15-18-25)19-21-8-3-2-4-9-21/h2-4,8-13,22,24H,6,14-19H2,1H3
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n/an/a 200n/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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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/2B receptor in frog oocytes


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


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091640
PNG
(5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-benz...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)C#Cc1ccc2nn[nH]c2c1
Show InChI InChI=1S/C22H24N4/c1-2-6-18(7-3-1)16-20-11-14-26(15-12-20)13-5-4-8-19-9-10-21-22(17-19)24-25-23-21/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,23,24,25)
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078497
PNG
(CHEMBL84043 | N-{4-[4-(4-Benzyl-piperidin-1-yl)-bu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2S/c1-28(26,27)24-23-12-10-20(11-13-23)7-5-6-16-25-17-14-22(15-18-25)19-21-8-3-2-4-9-21/h2-4,8-13,22,24H,6,14-19H2,1H3
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B 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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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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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)


BindingDB Entry DOI: 10.7270/Q26Q1WG4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091648
PNG
(5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-inda...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)C#Cc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25N3/c1-2-6-19(7-3-1)16-21-11-14-26(15-12-21)13-5-4-8-20-9-10-23-22(17-20)18-24-25-23/h1-3,6-7,9-10,17-18,21H,5,11-16H2,(H,24,25)
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078474
PNG
(4-{4-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-but-1-yn...)
Show SMILES Nc1ccc(cc1)C#CCCN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H25FN2/c23-21-8-4-19(5-9-21)17-20-12-15-25(16-13-20)14-2-1-3-18-6-10-22(24)11-7-18/h4-11,20H,2,12-17,24H2
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n/an/a 260n/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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078491
PNG
(CHEMBL83938 | N-{4-[4-(4-Benzyl-piperidin-1-yl)-bu...)
Show SMILES CC(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27)
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n/an/a 260n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B 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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078476
PNG
(CHEMBL79668 | N-{4-[5-(4-Benzyl-piperidin-1-yl)-pe...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C#CCCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O2S/c1-29(27,28)25-24-13-11-21(12-14-24)8-6-3-7-17-26-18-15-23(16-19-26)20-22-9-4-2-5-10-22/h2,4-5,9-14,23,25H,3,7,15-20H2,1H3
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n/an/a 280n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B 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
D(2) dopamine 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50078488
PNG
(CHEMBL309737 | {4-[4-(4-Benzyl-piperidin-1-yl)-but...)
Show SMILES CNc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2/c1-24-23-12-10-20(11-13-23)7-5-6-16-25-17-14-22(15-18-25)19-21-8-3-2-4-9-21/h2-4,8-13,22,24H,6,14-19H2,1H3
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n/an/a 300n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50078499
PNG
(3-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-benzyla...)
Show SMILES NCc1cccc(c1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2/c24-19-23-11-6-10-21(18-23)9-4-5-14-25-15-12-22(13-16-25)17-20-7-2-1-3-8-20/h1-3,6-8,10-11,18,22H,5,12-17,19,24H2
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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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078473
PNG
(4-{4-[4-(4-Methyl-benzyl)-piperidin-1-yl]-but-1-yn...)
Show SMILES Cc1ccc(CC2CCN(CCC#Cc3ccc(N)cc3)CC2)cc1
Show InChI InChI=1S/C23H28N2/c1-19-5-7-21(8-6-19)18-22-13-16-25(17-14-22)15-3-2-4-20-9-11-23(24)12-10-20/h5-12,22H,3,13-18,24H2,1H3
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n/an/a 310n/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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078477
PNG
(4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2S/c23-27(25,26)22-11-9-19(10-12-22)6-4-5-15-24-16-13-21(14-17-24)18-20-7-2-1-3-8-20/h1-3,7-12,21H,5,13-18H2,(H2,23,25,26)
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B 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 receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091644
PNG
(5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1,3-dih...)
Show SMILES O=C1Cc2cc(ccc2N1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N2O/c27-24-18-22-17-20(9-10-23(22)25-24)8-4-5-13-26-14-11-21(12-15-26)16-19-6-2-1-3-7-19/h1-3,6-7,9-10,17,21H,5,11-16,18H2,(H,25,27)
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n/an/a 320n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50078489
PNG
(1-[4-(4-Amino-phenyl)-but-3-ynyl]-4-(4-methyl-benz...)
Show SMILES Cc1ccc(CC2(O)CCN(CCC#Cc3ccc(N)cc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-5-7-21(8-6-19)18-23(26)13-16-25(17-14-23)15-3-2-4-20-9-11-22(24)12-10-20/h5-12,26H,3,13-18,24H2,1H3
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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
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