BDBM50160614 (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-amine::CHEMBL181680

SMILES: Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1

InChI Key: InChIKey=FIUWSYFTOFHJOS-VDYVPVQGSA-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 = 50160614   

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))	BDBM50160614 ((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...) Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)| Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17+,18?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.2	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))	BDBM50160614 ((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...) Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)| Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17+,18?	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	332	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