BDBM50399290 CHEMBL2180836

SMILES: COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1

InChI Key: InChIKey=KOTAZQOZDGBEDN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50399290   

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 3A (Homo sapiens (Human))	BDBM50399290 (CHEMBL2180836) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at human 5HT3R expressed in HEK293 cells assessed as stimulation of calcium flux by FLIPR				J Med Chem 55: 10277-81 (2012) Article DOI: 10.1021/jm3013568 BindingDB Entry DOI: 10.7270/Q2DJ5GRD
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50399290 (CHEMBL2180836) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at alpha3 nAchR in human SH-SY5Y cells assessed as stimulation of calcium flux by FLIPR				J Med Chem 55: 10277-81 (2012) Article DOI: 10.1021/jm3013568 BindingDB Entry DOI: 10.7270/Q2DJ5GRD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50399290 (CHEMBL2180836) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	912	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells assessed as stimulation of calcium flux by FLIPR				J Med Chem 55: 10277-81 (2012) Article DOI: 10.1021/jm3013568 BindingDB Entry DOI: 10.7270/Q2DJ5GRD
					More data for this Ligand-Target Pair