BDBM50079941 (8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine::CHEMBL112345

SMILES: COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12

InChI Key: InChIKey=ZVPBDPXZHYXGRS-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 = 50079941   

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))	BDBM50079941 ((8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl...) Show SMILES COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12 Show InChI InChI=1S/C20H26N4O3/c1-25-17-4-2-5-18-19(17)27-16(14-26-18)13-21-12-15-6-10-24(11-7-15)20-22-8-3-9-23-20/h2-5,8-9,15-16,21H,6-7,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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))	BDBM50079941 ((8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl...) Show SMILES COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12 Show InChI InChI=1S/C20H26N4O3/c1-25-17-4-2-5-18-19(17)27-16(14-26-18)13-21-12-15-6-10-24(11-7-15)20-22-8-3-9-23-20/h2-5,8-9,15-16,21H,6-7,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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