BDBM50415579 CHEMBL597061

SMILES: CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1nc(cc(n1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=WEEIYDPFNLRICS-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 = 50415579   

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)	BDBM50415579 (CHEMBL597061) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H29N7O/c1-21(20-34-15-17-35(18-16-34)28-29-13-8-14-30-28)31-27(36)26-32-24(22-9-4-2-5-10-22)19-25(33-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+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