BDBM50532080 CHEMBL4466162

SMILES: CNC(=O)c1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1

InChI Key: InChIKey=OEAJFZCAPQQYPH-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 = 50532080   

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 (Homo sapiens (Human))	BDBM50532080 (CHEMBL4466162) Show SMILES CNC(=O)c1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:13| Show InChI InChI=1S/C28H27N3O5/c1-29-27(34)20-9-7-19(8-10-20)25(32)23-24(18-5-3-2-4-6-18)31(28(35)26(23)33)21-13-11-17(12-14-21)22-15-16-36-30-22/h7-16,18,24,33H,2-6H2,1H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039
					More data for this Ligand-Target Pair