BDBM50415582 CHEMBL597111

SMILES: CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(nc1C)-c1ccccc1

InChI Key: InChIKey=DANINDGGUCIDLY-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 = 50415582   

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)	BDBM50415582 (CHEMBL597111) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(nc1C)-c1ccccc1 Show InChI InChI=1S/C22H26N6O2/c1-16(15-27-11-13-28(14-12-27)22-23-9-6-10-24-22)25-20(29)19-17(2)26-21(30-19)18-7-4-3-5-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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