BDBM50118228 5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-1-ylcarbamoyl)-phenyl]-ureido}-benzoylamino)-naphthalene-1-sulfonic acid anion;hexasodium salt::CHEMBL216504::Urea derivative
SMILES: [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
InChI Key: InChIKey=JMONOAYAUIIKMS-UHFFFAOYSA-H
Data: 8 IC50
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 |
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P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 4 (P2X4) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 ) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic, P2X2 (RAT) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) at 10 uM | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription Factor STAT3 (Mus musculus (mouse)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany. Curated by ChEMBL | Assay Description Inhibition of 5-carboxyfluorescein-GpYLPQTV-NH2 binding to mouse STAT3 (127 to 722 residues) expressed in Escherichia coli Rosetta BL21 DE3 pre-incub... | Bioorg Med Chem Lett 27: 3349-3352 (2017) Article DOI: 10.1016/j.bmcl.2017.06.012 BindingDB Entry DOI: 10.7270/Q2W66P7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription factor STAT5a (STAT5a) (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany. Curated by ChEMBL | Assay Description Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to C-terminal 6x-His-tagged and an N-terminal maltose-binding protein-tagged STAT5A SH2 domai... | Bioorg Med Chem Lett 27: 3349-3352 (2017) Article DOI: 10.1016/j.bmcl.2017.06.012 BindingDB Entry DOI: 10.7270/Q2W66P7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription Factor STAT1 (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany. Curated by ChEMBL | Assay Description Inhibition of 5-carboxyfluorescein-GpYDKPHVL-OH binding to STAT1 (unknown origin) pre-incubated for 1 hr before fluorescent-labelled peptide addition... | Bioorg Med Chem Lett 27: 3349-3352 (2017) Article DOI: 10.1016/j.bmcl.2017.06.012 BindingDB Entry DOI: 10.7270/Q2W66P7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription factor STAT5b (STAT5b) (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany. Curated by ChEMBL | Assay Description Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to STAT5B SH2 domain (unknown origin) pre-incubated for 1 hr before fluorescent-labelled pept... | Bioorg Med Chem Lett 27: 3349-3352 (2017) Article DOI: 10.1016/j.bmcl.2017.06.012 BindingDB Entry DOI: 10.7270/Q2W66P7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 ) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair |