BindingDB PrimarySearch

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

Data: 7 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50274042
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 (Homo sapiens (Human))	BDBM50274042 ((S)-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 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
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...)	BDBM50274042 ((S)-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 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
TBA Curated by ChEMBL					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 ...) 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 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
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...)	BDBM50274042 ((S)-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 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
TBA Curated by ChEMBL					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 ...) 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 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
TBA Curated by ChEMBL					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 ...) 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 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
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...)	BDBM50274042 ((S)-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 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
TBA Curated by ChEMBL					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 ...) 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 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
Research Triangle Institute Curated by ChEMBL					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 ...) 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 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
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair