BDBM50268874 CHEMBL499580::Sodium 1-Amino-4-[3-(4,6-dichloro-[1,3,5]triazine-2-ylamino)-5-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=WNDJATPAYNDPLE-UHFFFAOYSA-M

Data: 2 KI  5 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 = 50268874   

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))	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.76E+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 Displacement of [3H]PSB0413 from human platelet P2Y12 receptor				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 receptor P2Y12 (Homo sapiens (Human))	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.76E+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 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
Purinergic, P2X2 (RAT)	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	293	n/a	n/a	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 inhibition of alpha, beta-meATP-induced inward current b...				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))	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.55E+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
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+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 P2Y4 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 receptor P2Y2 (Homo sapiens (Human))	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.27E+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 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
P2X purinoceptor 4 (RAT)	BDBM50268874 (CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...) Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 rat P2X4 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...				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