Found 2126 hits with Last Name = 'hudkins' and Initial = 'r' 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 |
|---|
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50450592
(CHEMBL558910)Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]QNB (quinuclidinyl benzylate) from muscarinic M2 receptor of rat heart homogenates. |
Bioorg Med Chem Lett 7: 979-984 (1997)
Article DOI: 10.1016/S0960-894X(97)00143-1
BindingDB Entry DOI: 10.7270/Q2N29XFM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50450592
(CHEMBL558910)Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates |
J Med Chem 34: 2984-9 (1991)
BindingDB Entry DOI: 10.7270/Q27H1K5M |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038707
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038707
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50450592
(CHEMBL558910)Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | Reactome pathway
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates |
J Med Chem 34: 2984-9 (1991)
BindingDB Entry DOI: 10.7270/Q27H1K5M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50450592
(CHEMBL558910)Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pirenzepine from muscarinic M1 receptor of rat cortex homogenates. |
Bioorg Med Chem Lett 7: 979-984 (1997)
Article DOI: 10.1016/S0960-894X(97)00143-1
BindingDB Entry DOI: 10.7270/Q2N29XFM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates |
J Med Chem 34: 2984-9 (1991)
BindingDB Entry DOI: 10.7270/Q27H1K5M |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038717
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 3-(...)Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O4/c29-25(26(15-4-5-16-26)23-9-11-24(12-10-23)28(30)31)32-20-6-17-27-18-13-22(14-19-27)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355120
(CHEMBL1835782)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r| Show InChI InChI=1S/C22H29N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16H,3-8,13-15H2,1-2H3/t16-/m1/s1 | PDB
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| Article
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355121
(CHEMBL1835783)Show InChI InChI=1S/C22H29N3O2/c1-24-22(26)20-8-5-7-19(20)21(23-24)17-9-11-18(12-10-17)27-16-6-15-25-13-3-2-4-14-25/h9-12H,2-8,13-16H2,1H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038718
(1-Phenyl-cyclopentanecarboxylic acid 3-(4-phenyl-p...)Show SMILES O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C26H33NO2/c28-25(26(16-7-8-17-26)24-12-5-2-6-13-24)29-21-9-18-27-19-14-23(15-20-27)22-10-3-1-4-11-22/h1-6,10-13,23H,7-9,14-21H2 | PDB
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PC sid
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038715
(1-Phenyl-cyclopentanecarboxylic acid 4-(4-phenyl-p...)Show SMILES O=C(OCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C27H35NO2/c29-26(27(17-7-8-18-27)25-13-5-2-6-14-25)30-22-10-9-19-28-20-15-24(16-21-28)23-11-3-1-4-12-23/h1-6,11-14,24H,7-10,15-22H2 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM [3H]-(+)-PENT |
Bioorg Med Chem Lett 4: 2185-2188 (1994)
Article DOI: 10.1016/S0960-894X(00)80068-2
BindingDB Entry DOI: 10.7270/Q22N5266 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384937
(CHEMBL2036648)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O3/c1-21-4-2-13-30(21)14-3-19-34-25-11-7-22(8-12-25)26(32)20-29-15-17-31(18-16-29)27(33)23-5-9-24(28)10-6-23/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1 | PDB
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PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain. |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038706
(1-Phenyl-cyclopentanecarboxylic acid 5-(4-phenyl-p...)Show SMILES O=C(OCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C28H37NO2/c30-27(28(18-8-9-19-28)26-14-6-2-7-15-26)31-23-11-3-10-20-29-21-16-25(17-22-29)24-12-4-1-5-13-24/h1-2,4-7,12-15,25H,3,8-11,16-23H2 | PDB
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| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038712
(1-(4-Methoxy-phenyl)-cyclopentanecarboxylic acid 3...)Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C27H35NO3/c1-30-25-12-10-24(11-13-25)27(16-5-6-17-27)26(29)31-21-7-18-28-19-14-23(15-20-28)22-8-3-2-4-9-22/h2-4,8-13,23H,5-7,14-21H2,1H3 | PDB
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Similars
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50358567
(CHEMBL1923729)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r| Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 7076-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
Reactome pathway
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B.MOAD
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KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates |
J Med Chem 34: 2984-9 (1991)
BindingDB Entry DOI: 10.7270/Q27H1K5M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355141
(CHEMBL1835704)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-14-26(17)15-6-16-28-19-12-10-18(11-13-19)22-20-8-3-4-9-21(20)23(27)25(2)24-22/h3-4,8-13,17H,5-7,14-16H2,1-2H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355126
(CHEMBL1835706)Show InChI InChI=1S/C23H27N3O2/c1-25-23(27)21-9-4-3-8-20(21)22(24-25)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355124
(CHEMBL1835786)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCCc12 |r| Show InChI InChI=1S/C23H31N3O2/c1-17-7-5-14-26(17)15-6-16-28-19-12-10-18(11-13-19)22-20-8-3-4-9-21(20)23(27)25(2)24-22/h10-13,17H,3-9,14-16H2,1-2H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038714
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 3-(4...)Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H32INO2/c27-24-11-9-23(10-12-24)26(15-4-5-16-26)25(29)30-20-6-17-28-18-13-22(14-19-28)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384940
(CHEMBL2036651)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C |r| Show InChI InChI=1S/C26H36N4O3/c1-21-6-3-13-29(21)14-5-19-33-23-10-8-22(9-11-23)25(31)20-28-15-17-30(18-16-28)26(32)24-7-4-12-27(24)2/h4,7-12,21H,3,5-6,13-20H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50358577
(CHEMBL1923738)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 7076-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor |
Bioorg Med Chem Lett 21: 5543-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038711
(1-(4-Methoxy-phenyl)-cyclopentanecarboxylic acid 2...)Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H33NO3/c1-29-24-11-9-23(10-12-24)26(15-5-6-16-26)25(28)30-20-19-27-17-13-22(14-18-27)21-7-3-2-4-8-21/h2-4,7-12,22H,5-6,13-20H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
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PC sid
PDB
UniChem
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| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Binding affinity was measured against dopamine (D2) receptor in rat using [3H]spiperone as radioligand |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50355124
(CHEMBL1835786)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCCc12 |r| Show InChI InChI=1S/C23H31N3O2/c1-17-7-5-14-26(17)15-6-16-28-19-12-10-18(11-13-19)22-20-8-3-4-9-21(20)23(27)25(2)24-22/h10-13,17H,3-9,14-16H2,1-2H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM73402
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3 | Reactome pathway
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates |
J Med Chem 34: 2984-9 (1991)
BindingDB Entry DOI: 10.7270/Q27H1K5M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM73402
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3 | Reactome pathway
KEGG
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UniChem
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384941
(CHEMBL2036652)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C29H35N3O3S/c1-22-6-4-13-31(22)14-5-19-35-25-11-9-23(10-12-25)26(33)21-30-15-17-32(18-16-30)29(34)28-20-24-7-2-3-8-27(24)36-28/h2-3,7-12,20,22H,4-6,13-19,21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038713
(1-Phenyl-cyclopentanecarboxylic acid 6-(4-phenyl-p...)Show SMILES O=C(OCCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C29H39NO2/c31-28(29(19-9-10-20-29)27-15-7-4-8-16-27)32-24-12-2-1-11-21-30-22-17-26(18-23-30)25-13-5-3-6-14-25/h3-8,13-16,26H,1-2,9-12,17-24H2 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038721
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-(...)Show SMILES O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H30N2O2/c27-20-21-8-10-24(11-9-21)26(14-4-5-15-26)25(29)30-19-18-28-16-12-23(13-17-28)22-6-2-1-3-7-22/h1-3,6-11,23H,4-5,12-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038708
(1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid 2-...)Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C25H30ClNO2/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)24(28)29-19-18-27-16-12-21(13-17-27)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355138
(CHEMBL1835708)Show SMILES Cn1nc(-c2ccc(OCCCN3CCCCCC3)cc2)c2ccccc2c1=O Show InChI InChI=1S/C24H29N3O2/c1-26-24(28)22-10-5-4-9-21(22)23(25-26)19-11-13-20(14-12-19)29-18-8-17-27-15-6-2-3-7-16-27/h4-5,9-14H,2-3,6-8,15-18H2,1H3 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353165
(CHEMBL1829472)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-17-5-2-14-26(17)15-4-16-29-19-8-6-18(7-9-19)20-10-11-21(28)27(25-20)22-23-12-3-13-24-22/h3,6-13,17H,2,4-5,14-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038709
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-(4...)Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C25H30INO2/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)24(28)29-19-18-27-16-12-21(13-17-27)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355125
(CHEMBL1835787)Show InChI InChI=1S/C23H31N3O2/c1-25-23(27)21-9-4-3-8-20(21)22(24-25)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h10-13H,2-9,14-17H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355130
(CHEMBL1835778)Show SMILES CCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O |r| Show InChI InChI=1S/C23H29N3O2S/c1-3-12-26-23(27)20-11-16-29-22(20)21(24-26)18-7-9-19(10-8-18)28-15-5-14-25-13-4-6-17(25)2/h7-11,16-17H,3-6,12-15H2,1-2H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50038720
(1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid 3-...)Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H32ClNO2/c27-24-11-9-23(10-12-24)26(15-4-5-16-26)25(29)30-20-6-17-28-18-13-22(14-19-28)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research
Curated by ChEMBL
| Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain |
J Med Chem 37: 1964-70 (1994)
BindingDB Entry DOI: 10.7270/Q2QZ2BMR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50365250
(CHEMBL1958323)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells |
J Med Chem 55: 414-23 (2012)
Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50355122
(CHEMBL1835784)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(C)C(=O)C2CCCC12 |r,t:18| Show InChI InChI=1S/C22H31N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t16-,19?,20?/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 6126-30 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50363325
(CHEMBL1945843)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r| Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells |
J Med Chem 55: 414-23 (2012)
Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50363325
(CHEMBL1945843)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r| Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 22: 1073-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.118
BindingDB Entry DOI: 10.7270/Q2K64JHT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50365260
(CHEMBL1958333)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)n(nc1C)-c1ccccn1 |r| Show InChI InChI=1S/C24H28N4O2/c1-18-7-5-14-27(18)15-6-16-30-21-11-9-20(10-12-21)22-17-24(29)28(26-19(22)2)23-8-3-4-13-25-23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells |
J Med Chem 55: 414-23 (2012)
Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50262939
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3 | PDB
Reactome pathway
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human H3 receptor |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
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