BDBM50274042 (S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine::CHEMBL468880
SMILES: COc1cc(C[C@H](C)N)c(OC)cc1Br
InChI Key: InChIKey=FXMWUTGUCAKGQL-ZETCQYMHSA-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 (Homo sapiens (Human)) | BDBM50274042 ((S)-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 Similars | Article PubMed | 1.90 | 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...) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.30 | 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 receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat)) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 84 | 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 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 145 | 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 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 145 | 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...) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 145 | 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 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.00E+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 | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM50274042 ((S)-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 Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.53E+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) | BDBM50274042 ((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.14E+3 | 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 |