BDBM50160609 3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-cyclohexyl}-5-fluoro-1H-indole::CHEMBL360140

SMILES: Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1

InChI Key: InChIKey=PFKURRJZRJYVCG-PUZFROQSSA-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 = 50160609   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160609 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)| Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes				Bioorg Med Chem Lett 15: 911-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.064 BindingDB Entry DOI: 10.7270/Q2VD6XZH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50160609 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...) Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)| Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.				Bioorg Med Chem Lett 15: 911-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.064 BindingDB Entry DOI: 10.7270/Q2VD6XZH
					More data for this Ligand-Target Pair