BDBM50444425 CHEMBL3091607

SMILES: COc1ccc(CCc2nc(C)c(O)c(C(O)=O)c2C(O)=O)cc1

InChI Key: InChIKey=CWFOFIFVKUHVGE-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 = 50444425   

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 1 (Mus musculus)	BDBM50444425 (CHEMBL3091607) Show SMILES COc1ccc(CCc2nc(C)c(O)c(C(O)=O)c2C(O)=O)cc1 Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50444425 (CHEMBL3091607) Show SMILES COc1ccc(CCc2nc(C)c(O)c(C(O)=O)c2C(O)=O)cc1 Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
					More data for this Ligand-Target Pair