BDBM50038667 CHEMBL418319::[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethyl]-(4-nitro-benzyl)-amine

SMILES: COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br

InChI Key: InChIKey=OJNDNXRWOZBLRB-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 = 50038667   

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))	BDBM50038667 (CHEMBL418319 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-e...) Show SMILES COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br Show InChI InChI=1S/C17H19BrN2O4/c1-23-16-10-15(18)17(24-2)9-13(16)7-8-19-11-12-3-5-14(6-4-12)20(21)22/h3-6,9-10,19H,7-8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	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))	BDBM50038667 (CHEMBL418319 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-e...) Show SMILES COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br Show InChI InChI=1S/C17H19BrN2O4/c1-23-16-10-15(18)17(24-2)9-13(16)7-8-19-11-12-3-5-14(6-4-12)20(21)22/h3-6,9-10,19H,7-8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 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))	BDBM50038667 (CHEMBL418319 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-e...) Show SMILES COc1cc(CCNCc2ccc(cc2)[N+]([O-])=O)c(OC)cc1Br Show InChI InChI=1S/C17H19BrN2O4/c1-23-16-10-15(18)17(24-2)9-13(16)7-8-19-11-12-3-5-14(6-4-12)20(21)22/h3-6,9-10,19H,7-8,11H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+3	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