BDBM50307836 CHEMBL608559::Sodium 1-Amino-4-(2-anthracenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O

InChI Key: InChIKey=JXFRJOYKTCEJDG-UHFFFAOYSA-M

Data: 4 KI  3 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 7 hits for monomerid = 50307836   

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
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human NTPdase1 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 3 (Homo sapiens (Human))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+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 Inhibition of human NTPdase3 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 2 (Homo sapiens (Human))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human NTPdase2 by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	Reactome pathway KEGG UniProtKB/SwissProt 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 at human P2Y4 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/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 at human P2Y2 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Rattus norvegicus)	BDBM50307836 (CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1	Reactome pathway KEGG UniProtKB/SwissProt 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 at rat P2Y6 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair