BDBM50415558 CHEMBL599739

SMILES: CCCc1nc(oc1C(=O)NC(CC)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1

InChI Key: InChIKey=IIFLRUPASLUPNE-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 = 50415558   

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)	BDBM50415558 (CHEMBL599739) Show SMILES CCCc1nc(oc1C(=O)NC(CC)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN6O2/c1-3-6-21-22(34-24(30-21)18-7-9-19(26)10-8-18)23(33)29-20(4-2)17-31-13-15-32(16-14-31)25-27-11-5-12-28-25/h5,7-12,20H,3-4,6,13-17H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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