BDBM50399189 CHEMBL2180182

SMILES: CC(=O)N1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=MXVOQCUXOQFIHU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50399189   

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))	BDBM50399189 (CHEMBL2180182) Show SMILES CC(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C14H11NO2/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
Trypanothione Reductase (TryR) (Trypanosoma brucei brucei)	BDBM50399189 (CHEMBL2180182) Show SMILES CC(=O)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C14H11NO2/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wuerzburg Curated by ChEMBL					Assay Description Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...				Eur J Med Chem 108: 436-43 (2016) BindingDB Entry DOI: 10.7270/Q2GH9KTB
					More data for this Ligand-Target Pair