Found 23 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50095890' 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 |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5 BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]Ketanserin from 5-HT2A receptor in human brain tissue incubated for 60 mins by scintillation counting analysis |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126679 BindingDB Entry DOI: 10.7270/Q2445QV1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharma
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells |
J Med Chem 50: 5103-8 (2007)
Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by PDSP Ki Database
| |
Neuropsychopharmacology 18: 63-101 (1998)
Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 44: 477-501 (2001)
BindingDB Entry DOI: 10.7270/Q24Q7VQH |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Neuropsychopharmacology 28: 519-26 (2003)
Article DOI: 10.1038/sj.npp.1300027 BindingDB Entry DOI: 10.7270/Q2833QKK |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Li£ge
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 1572-82 (2012)
Article DOI: 10.1021/jm2013419 BindingDB Entry DOI: 10.7270/Q2R49RT3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Psychiatry 3: 123-34 (1998)
Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by PDSP Ki Database
| |
Neuropsychopharmacology 18: 63-101 (1998)
Article DOI: 10.1016/S0893-133X(97)00112-7 BindingDB Entry DOI: 10.7270/Q2SF2TQB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-ketanserin from human human 5-HT2A receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00497 BindingDB Entry DOI: 10.7270/Q24171XC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 120: 365-8 (1995)
Article DOI: 10.1007/bf02311185 BindingDB Entry DOI: 10.7270/Q2VT1QKB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 317: 417-23 (1996)
Article DOI: 10.1016/s0014-2999(96)00840-0 BindingDB Entry DOI: 10.7270/Q2DF6PR7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| US Patent
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
US Patent
| Assay Description Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors. |
US Patent US8598119 (2013)
BindingDB Entry DOI: 10.7270/Q28K77RC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.06.038 BindingDB Entry DOI: 10.7270/Q2Q52T9K |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Warsaw
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex after 20 mins by scintillation counting |
Eur J Med Chem 46: 4474-88 (2011)
Article DOI: 10.1016/j.ejmech.2011.07.022 BindingDB Entry DOI: 10.7270/Q2Z0395D |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by PDSP Ki Database
| |
Neuropsychopharmacology 14: 87-96 (1996)
Article DOI: 10.1016/0893-133X(94)00129-N BindingDB Entry DOI: 10.7270/Q2445K1M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 450: 37-41 (2002)
Article DOI: 10.1016/s0014-2999(02)02074-5 BindingDB Entry DOI: 10.7270/Q2S75DX4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 636 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 317: 417-23 (1996)
Article DOI: 10.1016/s0014-2999(96)00840-0 BindingDB Entry DOI: 10.7270/Q2DF6PR7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Neuropsychopharmacology 16: 93 (1997)
Article DOI: 10.1016/S0893-133X(96)00187-X BindingDB Entry DOI: 10.7270/Q2513WR8 |
More data for this Ligand-Target Pair | |