BindingDB PrimarySearch

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

Data: 13 KI 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50064708
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50064708 ((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Purdue University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
TBA Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Purdue University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Research Triangle Institute Curated by ChEMBL					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 ...) Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br \|r\| Show InChI	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
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair