BDBM50324091 CHEMBL1214960::N-(Benzofuran-2-ylmethyl)-N'-(3'-(3''-fluoropropoxy)benzyl)-piperazine

SMILES: FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1

InChI Key: InChIKey=YVFOUXAUJUJYKV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50324091   

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))	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT2B				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	599	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5HT1A				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50324091 (CHEMBL1214960 | N-(Benzofuran-2-ylmethyl)-N'-(3'-(...) Show SMILES FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 Show InChI InChI=1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Binding affinity to dopamine D2				J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J
					More data for this Ligand-Target Pair