BDBM50268766 CHEMBL498229::Disodium 1-amino-4-(4-amino-2-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O

InChI Key: InChIKey=TUYZCJKTGCNVOA-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 = 50268766   

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))	BDBM50268766 (CHEMBL498229 | Disodium 1-amino-4-(4-amino-2-sulfo...) Show SMILES Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C20H15N3O8S2/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+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