BDBM50178973 CHEMBL3815066

SMILES: COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC

InChI Key: InChIKey=BZDICMOFJNLEFS-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 = 50178973   

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 2B (Homo sapiens (Human))	BDBM50178973 (CHEMBL3815066) Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University Of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 3216-3219 (2016) BindingDB Entry DOI: 10.7270/Q29S1SXB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50178973 (CHEMBL3815066) Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University Of New York Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 3216-3219 (2016) BindingDB Entry DOI: 10.7270/Q29S1SXB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50178973 (CHEMBL3815066) Show SMILES COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3OCOc3c2)cc1OC Show InChI InChI=1S/C28H32BrNO4/c1-31-25-10-8-22(18-27(25)32-2)12-15-30(14-4-6-21-5-3-7-24(29)17-21)16-13-23-9-11-26-28(19-23)34-20-33-26/h3,5,7-11,17-19H,4,6,12-16,20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University Of New York Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 3216-3219 (2016) BindingDB Entry DOI: 10.7270/Q29S1SXB
					More data for this Ligand-Target Pair