BDBM50506171 CHEMBL4462109

SMILES: Cn1cc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cn1

InChI Key: InChIKey=ZOUZSCAGUSQIPB-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 = 50506171   

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 4 (Homo sapiens (Human))	BDBM50506171 (CHEMBL4462109) Show SMILES Cn1cc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cn1 Show InChI InChI=1S/C18H17ClN4O4S/c1-23-11-14(10-21-23)27-16-7-6-13(9-17(16)28(20,25)26)22-18(24)8-12-4-2-3-5-15(12)19/h2-7,9-11H,8H2,1H3,(H,22,24)(H2,20,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	185	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
					More data for this Ligand-Target Pair