BDBM50079944 CHEMBL114852::[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-ylmethyl]-(2-methoxy-phenyl)-amine

SMILES: COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1

InChI Key: InChIKey=TYCFPCOJYDWOEP-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 = 50079944   

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 1A (Rattus norvegicus (rat))	BDBM50079944 (CHEMBL114852 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...) Show SMILES COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H28N2O3/c1-25-20-7-3-2-6-19(20)23-14-17-10-12-24(13-11-17)15-18-16-26-21-8-4-5-9-22(21)27-18/h2-9,17-18,23H,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Knoll Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand				J Med Chem 42: 3342-55 (1999) Article DOI: 10.1021/jm9910122 BindingDB Entry DOI: 10.7270/Q2WH2P6K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50079944 (CHEMBL114852 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...) Show SMILES COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C22H28N2O3/c1-25-20-7-3-2-6-19(20)23-14-17-10-12-24(13-11-17)15-18-16-26-21-8-4-5-9-22(21)27-18/h2-9,17-18,23H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Knoll Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes				J Med Chem 42: 3342-55 (1999) Article DOI: 10.1021/jm9910122 BindingDB Entry DOI: 10.7270/Q2WH2P6K
					More data for this Ligand-Target Pair