BDBM50268571 CHEMBL498223::Sodium 1-Amino-4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c(cc(NCc2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=QNZLWFZNJCGPKX-UHFFFAOYSA-M

Data: 1 KI  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 2 hits for monomerid = 50268571   

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))	BDBM50268571 (CHEMBL498223 | Sodium 1-Amino-4-(benzylamino)-9,10...) Show SMILES Nc1c(cc(NCc2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H16N2O5S/c22-19-16(29(26,27)28)10-15(23-11-12-6-2-1-3-7-12)17-18(19)21(25)14-9-5-4-8-13(14)20(17)24/h1-10,23H,11,22H2,(H,26,27,28)/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
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50268571 (CHEMBL498223 | Sodium 1-Amino-4-(benzylamino)-9,10...) Show SMILES Nc1c(cc(NCc2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H16N2O5S/c22-19-16(29(26,27)28)10-15(23-11-12-6-2-1-3-7-12)17-18(19)21(25)14-9-5-4-8-13(14)20(17)24/h1-10,23H,11,22H2,(H,26,27,28)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2Y4 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilizati...				J Med Chem 60: 3020-3038 (2017) Article DOI: 10.1021/acs.jmedchem.7b00030 BindingDB Entry DOI: 10.7270/Q2G73H15
					More data for this Ligand-Target Pair