BDBM50415560 CHEMBL605126

SMILES: CCCc1nc(oc1COC(C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1

InChI Key: InChIKey=KTDHDMSKQGZSFD-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 = 50415560   

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)	BDBM50415560 (CHEMBL605126) Show SMILES CCCc1nc(oc1COC(C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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