BDBM50053634 1-(4-Methoxy-2-methyl-phenyl)-piperazine::CHEMBL128567

SMILES: COc1ccc(N2CCNCC2)c(C)c1

InChI Key: InChIKey=QACLELNFVSMAIZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50053634   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human))	BDBM50053634 (1-(4-Methoxy-2-methyl-phenyl)-piperazine | CHEMBL1...) Show SMILES COc1ccc(N2CCNCC2)c(C)c1 Show InChI InChI=1S/C12H18N2O/c1-10-9-11(15-2)3-4-12(10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells				J Med Chem 39: 4017-26 (1996) Article DOI: 10.1021/jm9603936 BindingDB Entry DOI: 10.7270/Q23F4NQT
					More data for this Ligand-Target Pair