BDBM50295868 CHEMBL562982::Toluene-4-sulfonic acid 6-amino-2-(2-aminoethylsulfanyl)-pyrimidin-4-yl ester

SMILES: Cc1ccc(cc1)S(=O)(=O)Oc1cc(N)nc(SCCN)n1

InChI Key: InChIKey=RRTDIXDVGUBULA-UHFFFAOYSA-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 = 50295868   

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))	BDBM50295868 (CHEMBL562982 | Toluene-4-sulfonic acid 6-amino-2-(...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cc(N)nc(SCCN)n1 Show InChI InChI=1S/C13H16N4O3S2/c1-9-2-4-10(5-3-9)22(18,19)20-12-8-11(15)16-13(17-12)21-7-6-14/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in CHO FlpIn cells assessed as reducion n 2-methylthio-ADP mediated inhibition of f...				Bioorg Med Chem 17: 4612-21 (2009) Article DOI: 10.1016/j.bmc.2009.04.061 BindingDB Entry DOI: 10.7270/Q2FN1676
					More data for this Ligand-Target Pair