BDBM50097681 CHEMBL3589586

SMILES: COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br

InChI Key: InChIKey=QDCQSKDZUVJKCR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50097681   

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 2C (Homo sapiens (Human))	BDBM50097681 (CHEMBL3589586) Show SMILES COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O3/c1-21-14-9-13(17)15(22-2)8-11(14)5-7-18-10-12-4-3-6-19-16(12)20/h3-4,6,8-9,18H,5,7,10H2,1-2H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097681 (CHEMBL3589586) Show SMILES COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O3/c1-21-14-9-13(17)15(22-2)8-11(14)5-7-18-10-12-4-3-6-19-16(12)20/h3-4,6,8-9,18H,5,7,10H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair