BDBM50237576 CHEMBL4069492

SMILES: [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O

InChI Key: InChIKey=XRIVZBSGEPKYFL-UHFFFAOYSA-M

Data: 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 5 hits for monomerid = 50237576   

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 P2Y1 (Homo sapiens (Human))	BDBM50237576 (CHEMBL4069492) Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor transfected in human 1321N1 cells assessed as inhibition of ADP-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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50237576 (CHEMBL4069492) Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2Y12 receptor expressed in CHO cells assessed as inhibition of 2-MeSADP-induced beta-arrestin translocation preincubate...				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
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50237576 (CHEMBL4069492) Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/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	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells				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
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50237576 (CHEMBL4069492) Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	746	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
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50237576 (CHEMBL4069492) Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+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 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