Found 1312 hits with Last Name = 'bräuner-osborne' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| PDB
Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 | PDB
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| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50047021
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, kainate 1
(RAT) | BDBM50126763
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 | PDB
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| 2.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells |
J Med Chem 52: 4911-22 (2009)
Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50047021
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, kainate 1
(RAT) | BDBM50126764
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O |t:3| Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1 | PDB
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| 2.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells |
J Med Chem 52: 4911-22 (2009)
Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50089890
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50089897
(4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxyl...)Show InChI InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50089890
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, kainate 1
(RAT) | BDBM50295042
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O |r,t:4| Show InChI InChI=1S/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/m0/s1 | PDB
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| 5.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells |
J Med Chem 52: 4911-22 (2009)
Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 | PDB
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50089897
(4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxyl...)Show InChI InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1 | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinic acetylcholine receptor
(RAT) | BDBM50275262
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3 | UniProtKB/TrEMBL
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50275262
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3 | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50056272
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50062522
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate receptor 2
(Homo sapiens (Human)) | BDBM50002370
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells |
J Med Chem 46: 2246-9 (2003)
Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50275262
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM86312
(CAS_84607 | DMCC | NSC_84607)Show InChI InChI=1S/C8H19N2O2/c1-9(2)8(11)12-7-6-10(3,4)5/h6-7H2,1-5H3/q+1 | UniProtKB/TrEMBL
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Glutamate receptor 3
(Homo sapiens (Human)) | BDBM50002370
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 3 (GluR3) expressed in Sf 9 insect cells |
J Med Chem 46: 2246-9 (2003)
Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50062522
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2 |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate receptor 1
(Homo sapiens (Human)) | BDBM50002370
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells |
J Med Chem 46: 2246-9 (2003)
Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06 |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM85224
(CAS_1918-18-9 | MCC | SWEP)Show InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) | UniProtKB/TrEMBL
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM85224
(CAS_1918-18-9 | MCC | SWEP)Show InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM85224
(CAS_1918-18-9 | MCC | SWEP)Show InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5 |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50056272
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate receptor 4
(Homo sapiens (Human)) | BDBM50002370
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 4 (GluR4) expressed in Sf 9 insect cells |
J Med Chem 46: 2246-9 (2003)
Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM17660
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5 |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 8
(Homo sapiens (Human)) | BDBM50007548
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1 | PDB
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The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50275262
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3 | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 | PDB
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Article
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50089894
(2-(Amino-carboxy-methyl)-3-[2-(9H-xanthen-9-yl)-et...)Show SMILES N[C@@H]([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19?/m1/s1 | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2 |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 | PDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50275262
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50089895
(2-Amino-3-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarbo...)Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2?,3-,4+,5?,8+/m1/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). |
J Med Chem 43: 2609-45 (2000)
BindingDB Entry DOI: 10.7270/Q2DZ090Q |
More data for this
Ligand-Target Pair | |
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