BDBM50061671 3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-dihydro-benzo[1,4]dioxin-6-ol::CHEMBL136635

SMILES: Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1

InChI Key: InChIKey=XQRSLRUXPXVCRY-INIZCTEOSA-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 = 50061671   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061671 (3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...) Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1 Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50061671 (3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...) Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1 Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061671 (3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...) Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1 Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity stat...				J Med Chem 40: 4235-56 (1998) Article DOI: 10.1021/jm9703653 BindingDB Entry DOI: 10.7270/Q2KP82TD
					More data for this Ligand-Target Pair