BDBM50152018 3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester::CHEMBL188848

SMILES: COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1

InChI Key: InChIKey=MDHVRPTXQRFWPA-UHFFFAOYSA-N

Data: 3 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 = 50152018   

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))	BDBM50152018 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,2-4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50152018 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,2-4,9-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50152018 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,2-4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
					More data for this Ligand-Target Pair