BDBM50268917 CHEMBL446904::Disodium 1-Amino-4-[4-phenoxy-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c(cc(Nc2ccc(Oc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=CKNSCVWPQUUPIK-UHFFFAOYSA-L

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 = 50268917   

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))	BDBM50268917 (CHEMBL446904 | Disodium 1-Amino-4-[4-phenoxy-3-sul...) Show SMILES Nc1c(cc(Nc2ccc(Oc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O9S2/c27-24-21(39(34,35)36)13-18(22-23(24)26(30)17-9-5-4-8-16(17)25(22)29)28-14-10-11-19(20(12-14)38(31,32)33)37-15-6-2-1-3-7-15/h1-13,28H,27H2,(H,31,32,33)(H,34,35,36)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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