BDBM50122418 1-Benzo[1,3]dioxol-5-yl-4-[4-(2-fluoro-5-methoxy-benzyl)-piperazin-1-yl]-cyclohexanol::CHEMBL319132

SMILES: COc1ccc(F)c(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1

InChI Key: InChIKey=VQCLRBBNBBREIV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50122418   

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))	BDBM50122418 (1-Benzo[1,3]dioxol-5-yl-4-[4-(2-fluoro-5-methoxy-b...) Show SMILES COc1ccc(F)c(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(14.54,-8.34,;13.77,-7.01,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;17.16,-1.92,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-.36,;9.92,-.36,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;4.53,.65,;4.93,2.14,;4.79,-.89,;6.63,-.89,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;13.77,-4.35,)| Show InChI InChI=1S/C25H31FN2O4/c1-30-21-3-4-22(26)18(14-21)16-27-10-12-28(13-11-27)20-6-8-25(29,9-7-20)19-2-5-23-24(15-19)32-17-31-23/h2-5,14-15,20,29H,6-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of the 5-hydroxytryptamine 1A receptor in rat dorsal raphe				Bioorg Med Chem Lett 13: 285-8 (2002) BindingDB Entry DOI: 10.7270/Q2251HJQ
					More data for this Ligand-Target Pair