BDBM50300811 CHEMBL576234::N-{4-[4-(2,4-dimethoxyphenyl)-piperazin-1-yl]butyl}-4-pyridin-2-ylbenzamide

SMILES: COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1

InChI Key: InChIKey=KKVXRFAQMOVXOX-UHFFFAOYSA-N

Data: 3 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 = 50300811   

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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50300811 (CHEMBL576234 | N-{4-[4-(2,4-dimethoxyphenyl)-piper...) Show SMILES COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N4O3/c1-34-24-12-13-26(27(21-24)35-2)32-19-17-31(18-20-32)16-6-5-15-30-28(33)23-10-8-22(9-11-23)25-7-3-4-14-29-25/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,30,33)	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	2.84E+3	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50300811 (CHEMBL576234 | N-{4-[4-(2,4-dimethoxyphenyl)-piper...) Show SMILES COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N4O3/c1-34-24-12-13-26(27(21-24)35-2)32-19-17-31(18-20-32)16-6-5-15-30-28(33)23-10-8-22(9-11-23)25-7-3-4-14-29-25/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,30,33)	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	2.84E+3	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 2380-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.052 BindingDB Entry DOI: 10.7270/Q23779QR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50300811 (CHEMBL576234 | N-{4-[4-(2,4-dimethoxyphenyl)-piper...) Show SMILES COc1ccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c(OC)c1 Show InChI InChI=1S/C28H34N4O3/c1-34-24-12-13-26(27(21-24)35-2)32-19-17-31(18-20-32)16-6-5-15-30-28(33)23-10-8-22(9-11-23)25-7-3-4-14-29-25/h3-4,7-14,21H,5-6,15-20H2,1-2H3,(H,30,33)	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	2.84E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 17: 5247-58 (2009) Article DOI: 10.1016/j.bmc.2009.05.040 BindingDB Entry DOI: 10.7270/Q29K4B8H
					More data for this Ligand-Target Pair