BDBM50374558 CHEMBL255350

SMILES: CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCc2ccccc2C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1

InChI Key: InChIKey=VKXVJRCAUBBWLF-JXBHIWAZSA-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 = 50374558   

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))	BDBM50374558 (CHEMBL255350) Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCc2ccccc2C(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1 Show InChI InChI=1S/C30H30N6O7/c1-2-31-30(39)35-26-23-27(33-16-32-26)36(17-34-23)28-25-24(42-22(43-25)13-12-18-8-4-3-5-9-18)21(41-28)15-40-14-19-10-6-7-11-20(19)29(37)38/h3-13,16-17,21-22,24-25,28H,2,14-15H2,1H3,(H,37,38)(H2,31,32,33,35,39)/b13-12+/t21-,22+,24-,25-,28-/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	40	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