Found 31 hits of Enzyme Inhibition Constant Data 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 |
|---|
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
Reactome pathway
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| Article
PubMed
| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | UniProtKB/SwissProt
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| 322 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | KEGG
UniProtKB/SwissProt
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PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PubMed
| 412 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
MMDB
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PubMed
| 6.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PC cid
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| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PC cid
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| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
MMDB
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PC cid
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| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(GUINEA PIG) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
Reactome pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
NCI pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 188: 244-51 (2006)
Article DOI: 10.1007/s00213-006-0490-4
BindingDB Entry DOI: 10.7270/Q2HX1B8P |
More data for this
Ligand-Target Pair | |
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