BDBM50038669 CHEMBL58273::[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethyl]-dimethyl-amine

SMILES: COc1cc(CCN(C)C)c(OC)cc1Br

InChI Key: InChIKey=WVKVAJAGQDVFFZ-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50038669   

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))	BDBM50038669 (CHEMBL58273 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCN(C)C)c(OC)cc1Br Show InChI InChI=1S/C12H18BrNO2/c1-14(2)6-5-9-7-12(16-4)10(13)8-11(9)15-3/h7-8H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038669 (CHEMBL58273 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCN(C)C)c(OC)cc1Br Show InChI InChI=1S/C12H18BrNO2/c1-14(2)6-5-9-7-12(16-4)10(13)8-11(9)15-3/h7-8H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50038669 (CHEMBL58273 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCN(C)C)c(OC)cc1Br Show InChI InChI=1S/C12H18BrNO2/c1-14(2)6-5-9-7-12(16-4)10(13)8-11(9)15-3/h7-8H,5-6H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2C receptor in J1 cells transfected with the rat 5-HT2C gene labeled with [3H]-mesulergine.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair