BDBM50064708 (R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine::(R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine::CHEMBL69700
SMILES: COc1cc(C[C@@H](C)N)c(OC)cc1Br
InChI Key: InChIKey=FXMWUTGUCAKGQL-SSDOTTSWSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity for 5-HT2A serotonin receptor | J Med Chem 47: 6034-41 (2004) Article DOI: 10.1021/jm040082s BindingDB Entry DOI: 10.7270/Q2R78DQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description The compound was evaluated for binding affinity against Prothrombin | J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.290 | 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]ketanserin from 5HT2A receptor expressed in NIH3T3 cells | J Med Chem 51: 6808-28 (2008) Article DOI: 10.1021/jm800771x BindingDB Entry DOI: 10.7270/Q2KD1ZTR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates | J Med Chem 30: 930-2 (1987) BindingDB Entry DOI: 10.7270/Q2XS5XKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- DOB as a radioligand | J Med Chem 30: 1-12 (1987) BindingDB Entry DOI: 10.7270/Q29K4BS7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined | J Med Chem 41: 2134-45 (1998) Article DOI: 10.1021/jm980076u BindingDB Entry DOI: 10.7270/Q2XD10T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement. | J Med Chem 30: 1-12 (1987) BindingDB Entry DOI: 10.7270/Q29K4BS7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Affinity towards [3H]- ketanserin-labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates | J Med Chem 30: 930-2 (1987) BindingDB Entry DOI: 10.7270/Q2XS5XKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as... | J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand | J Med Chem 30: 1-12 (1987) BindingDB Entry DOI: 10.7270/Q29K4BS7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine ... | J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand. | J Med Chem 30: 1-12 (1987) BindingDB Entry DOI: 10.7270/Q29K4BS7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Affinity at [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in rat brain homogenate was determined | J Med Chem 41: 2134-45 (1998) Article DOI: 10.1021/jm980076u BindingDB Entry DOI: 10.7270/Q2XD10T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Serotonin 5-HT2A receptor-mediated intracellular calcium [Ca2+] mobilization in rat A7r5 cells | J Med Chem 47: 6034-41 (2004) Article DOI: 10.1021/jm040082s BindingDB Entry DOI: 10.7270/Q2R78DQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.19E+4 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay | Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trace amine-associated receptor 1 (Macaca mulatta) | BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader | Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0 | |||||||||||
More data for this Ligand-Target Pair |