Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.3 BDBM50506182

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506182 (CHEMBL4593104) Show SMILES CC(C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O)c1ccccc1Cl Show InChI InChI=1S/C21H18Cl2N2O4S/c1-13(17-7-2-3-8-18(17)23)21(26)25-15-9-10-19(20(12-15)30(24,27)28)29-16-6-4-5-14(22)11-16/h2-13H,1H3,(H,25,26)(H2,24,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair