BDBM50415584 CHEMBL591530

SMILES: CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccccc1

InChI Key: InChIKey=VGTVHFWBAOOPBO-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 = 50415584   

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
P2X purinoceptor 3 (RAT)	BDBM50415584 (CHEMBL591530) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccccc1 Show InChI InChI=1S/C29H32N6O/c1-22(21-33-16-18-34(19-17-33)29-30-14-9-15-31-29)32-28(36)26-20-27(24-10-5-3-6-11-24)35(23(26)2)25-12-7-4-8-13-25/h3-15,20,22H,16-19,21H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair