BDBM50328823 5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)difuran-2-sulfonic acid::CHEMBL1270061::NSC-601364

SMILES: OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1

InChI Key: InChIKey=JADQARCBSBASKV-UHFFFAOYSA-N

Data: 2 KI  3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50328823   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50328823 (5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...) Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)	MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50328823 (5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...) Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50328823 (5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...) Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328823 (5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...) Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50328823 (5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...) Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)	MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair