Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 4' and Ligand = 'BDBM50237573'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2Y purinoceptor 4 (Homo sapiens (Human))	BDBM50237573 (CHEMBL4090874) Show SMILES [Na+].Nc1c(cc(Nc2ccc(SCc3cccnc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H19N3O5S2/c27-24-21(36(32,33)34)12-20(22-23(24)26(31)19-6-2-1-5-18(19)25(22)30)29-16-7-9-17(10-8-16)35-14-15-4-3-11-28-13-15/h1-13,29H,14,27H2,(H,32,33,34)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	409	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
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