BDBM50306711 CHEMBL590441::INS-48823

SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C3OC(Cc4ccccc4)OC23)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=YDHKKKOSWNLJBU-GDABIDMESA-N

Data: 1 EC50

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 = 50306711   

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
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50306711 (CHEMBL590441 | INS-48823) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C3OC(Cc4ccccc4)OC23)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C26H32N4O23P4/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(47-23)11-45-54(37,38)51-56(41,42)53-57(43,44)52-55(39,40)46-12-15-21-22(24(48-15)30-9-7-17(32)28-26(30)36)50-18(49-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,27,31,35)(H,28,32,36)/t14-,15-,18?,19-,20-,21?,22?,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay				J Med Chem 53: 1673-85 (2010) Article DOI: 10.1021/jm901450d BindingDB Entry DOI: 10.7270/Q2ZW1MWR
					More data for this Ligand-Target Pair