BDBM50268877 CHEMBL455536::Disodium 1-Amino-4-[4-phenylamino-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)cc1S([O-])(=O)=O

InChI Key: InChIKey=RZKYWROKRXTQRR-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 = 50268877   

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))	BDBM50268877 (CHEMBL455536 | Disodium 1-Amino-4-[4-phenylamino-3...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C26H19N3O8S2/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.9	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