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Articleid 50029027

Compile data set for download or QSAR
Found 14 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 2C


(Rattus norvegicus (Rat))		BDBM50280813
PNG
(5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-p...)
Show SMILES C[C@@H]([C@@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-15(22(26)18-7-8-20-19(13-18)14-21(25)23-20)24-11-9-17(10-12-24)16-5-3-2-4-6-16/h2-8,13,15,17,22,26H,9-12,14H2,1H3,(H,23,25)/t15-,22+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50007677
PNG
((+)-threo 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy...)
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 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50280811
PNG
(5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-p...)
Show SMILES C[C@@H]([C@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-16(23(27)19-7-8-21-20(14-19)15-22(26)24-21)25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,16,18,23,27H,9-13,15H2,1H3,(H,24,26)/t16-,23-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50280812
PNG
(5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-p...)
Show SMILES C[C@@H]([C@@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-16(23(27)19-7-8-21-20(14-19)15-22(26)24-21)25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,16,18,23,27H,9-13,15H2,1H3,(H,24,26)/t16-,23+/m0/s1
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n/an/a 111n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50280810
PNG
(5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydrox...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C22H25FN2O2/c23-19-4-1-15(2-5-19)11-16-7-9-25(10-8-16)14-21(26)17-3-6-20-18(12-17)13-22(27)24-20/h1-6,12,16,21,26H,7-11,13-14H2,(H,24,27)
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n/an/a 183n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50280811
PNG
(5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-p...)
Show SMILES C[C@@H]([C@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-16(23(27)19-7-8-21-20(14-19)15-22(26)24-21)25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,16,18,23,27H,9-13,15H2,1H3,(H,24,26)/t16-,23-/m0/s1
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n/an/a 231n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (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 263n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50280813
PNG
(5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-p...)
Show SMILES C[C@@H]([C@@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H26N2O2/c1-15(22(26)18-7-8-20-19(13-18)14-21(25)23-20)24-11-9-17(10-12-24)16-5-3-2-4-6-16/h2-8,13,15,17,22,26H,9-12,14H2,1H3,(H,23,25)/t15-,22+/m0/s1
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n/an/a 349n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50280810
PNG
(5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydrox...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C22H25FN2O2/c23-19-4-1-15(2-5-19)11-16-7-9-25(10-8-16)14-21(26)17-3-6-20-18(12-17)13-22(27)24-20/h1-6,12,16,21,26H,7-11,13-14H2,(H,24,27)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50280812
PNG
(5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-p...)
Show SMILES C[C@@H]([C@@H](O)c1ccc2NC(=O)Cc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-16(23(27)19-7-8-21-20(14-19)15-22(26)24-21)25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,16,18,23,27H,9-13,15H2,1H3,(H,24,26)/t16-,23+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50007677
PNG
((+)-threo 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy...)
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 843n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellul...

Bioorg Med Chem Lett 3: 91-94 (1993)


Article DOI: 10.1016/S0960-894X(00)80098-0
BindingDB Entry DOI: 10.7270/Q2GT5N4S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%