BDBM50057093 (2-Benzo[1,3]dioxol-5-yl-ethyl)-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine::CHEMBL9831

SMILES: COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12

InChI Key: InChIKey=MHXINXPTKUQZKP-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 50057093   

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 (Homo sapiens (Human))	BDBM50057093 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-(5-methoxy-1,2,3,4...) Show SMILES COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO3/c1-23(12-11-16-9-10-21-22(13-16)26-15-25-21)14-17-5-3-7-19-18(17)6-4-8-20(19)24-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against 5-hydroxytryptamine 1A receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50057093 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-(5-methoxy-1,2,3,4...) Show SMILES COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO3/c1-23(12-11-16-9-10-21-22(13-16)26-15-25-21)14-17-5-3-7-19-18(17)6-4-8-20(19)24-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against serotonin transporter				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057093 ((2-Benzo[1,3]dioxol-5-yl-ethyl)-(5-methoxy-1,2,3,4...) Show SMILES COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12 Show InChI InChI=1S/C22H27NO3/c1-23(12-11-16-9-10-21-22(13-16)26-15-25-21)14-17-5-3-7-19-18(17)6-4-8-20(19)24-2/h4,6,8-10,13,17H,3,5,7,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair