BDBM50415570 CHEMBL590972

SMILES: CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ccncn1)-c1ccc(F)cc1

InChI Key: InChIKey=YXKFRKLLGYRRFV-QGZVFWFLSA-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 = 50415570   

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)	BDBM50415570 (CHEMBL590972) Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ccncn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H29FN6O2/c1-3-4-20-22(33-24(29-20)18-5-7-19(25)8-6-18)23(32)28-17(2)15-30-11-13-31(14-12-30)21-9-10-26-16-27-21/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,32)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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