BDBM50336800 CHEMBL1672101::Sodium 1-Amino-4-(3-phenoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=NXKNDRXWYZQKPE-UHFFFAOYSA-M

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50336800   

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 P2Y2 (Homo sapiens (Human))	BDBM50336800 (CHEMBL1672101 | Sodium 1-Amino-4-(3-phenoxyphenyla...) Show SMILES Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-12-5-4-11-18(19)25(22)29)28-15-7-6-10-17(13-15)34-16-8-2-1-3-9-16/h1-14,28H,27H2,(H,31,32,33)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair
Purinergic, P2X2 (RAT)	BDBM50336800 (CHEMBL1672101 | Sodium 1-Amino-4-(3-phenoxyphenyla...) Show SMILES Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-12-5-4-11-18(19)25(22)29)28-15-7-6-10-17(13-15)34-16-8-2-1-3-9-16/h1-14,28H,27H2,(H,31,32,33)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	489	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as maximum alpha, beta-meATP-induced inward current by two-...				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50336800 (CHEMBL1672101 | Sodium 1-Amino-4-(3-phenoxyphenyla...) Show SMILES Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-12-5-4-11-18(19)25(22)29)28-15-7-6-10-17(13-15)34-16-8-2-1-3-9-16/h1-14,28H,27H2,(H,31,32,33)/p-1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair