BDBM50268573 CHEMBL498225::Sodium 1-amino-4-(3,4-dimethoxy-phenethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate::sodium 1-amino-4-(3,4-dimethoxyphenethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: COc1ccc(CCNc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1OC

InChI Key: InChIKey=DSSOPCADZJORJO-UHFFFAOYSA-M

Data: 1 KI

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 = 50268573   

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))	BDBM50268573 (CHEMBL498225 | Sodium 1-amino-4-(3,4-dimethoxy-phe...) Show SMILES COc1ccc(CCNc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1OC Show InChI InChI=1S/C24H22N2O7S/c1-32-17-8-7-13(11-18(17)33-2)9-10-26-16-12-19(34(29,30)31)22(25)21-20(16)23(27)14-5-3-4-6-15(14)24(21)28/h3-8,11-12,26H,9-10,25H2,1-2H3,(H,29,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor				J Med Chem 52: 3784-93 (2009) Article DOI: 10.1021/jm9003297 BindingDB Entry DOI: 10.7270/Q2NK3FZF
					More data for this Ligand-Target Pair