BDBM50237575 CHEMBL4094930

SMILES: [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1S([O-])(=O)=O

InChI Key: InChIKey=QQHSLWIRLHGQRO-UHFFFAOYSA-M

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 = 50237575   

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
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50237575 (CHEMBL4094930) Show SMILES [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1S([O-])(=O)=O Show InChI InChI=1S/C26H17ClN2O6S/c27-14-5-9-16(10-6-14)35-17-11-7-15(8-12-17)29-20-13-21(36(32,33)34)24(28)23-22(20)25(30)18-3-1-2-4-19(18)26(23)31/h1-13,29H,28H2,(H,32,33,34)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2Y4 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilizati...				J Med Chem 60: 3020-3038 (2017) Article DOI: 10.1021/acs.jmedchem.7b00030 BindingDB Entry DOI: 10.7270/Q2G73H15
					More data for this Ligand-Target Pair