BDBM50374559 CHEMBL255349

SMILES: CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1

InChI Key: InChIKey=CXOLOFLJPRWTKH-BFCYAOISSA-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 = 50374559   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50374559 (CHEMBL255349) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C24H26N6O7/c1-2-25-24(33)29-21-18-22(27-12-26-21)30(13-28-18)23-20-19(15(35-23)10-34-11-16(31)32)36-17(37-20)9-8-14-6-4-3-5-7-14/h3-9,12-13,15,17,19-20,23H,2,10-11H2,1H3,(H,31,32)(H2,25,26,27,29,33)/b9-8+/t15-,17+,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay				Bioorg Med Chem Lett 18: 2167-71 (2008) Article DOI: 10.1016/j.bmcl.2008.01.038 BindingDB Entry DOI: 10.7270/Q2GM885R
					More data for this Ligand-Target Pair