Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.5 BDBM50326559

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50326559 (4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...) Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24| Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.0	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7				Bioorg Med Chem 18: 5449-56 (2010) Article DOI: 10.1016/j.bmc.2010.04.050 BindingDB Entry DOI: 10.7270/Q2Q52QMC
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50326559 (4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...) Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24| Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.0	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5				Bioorg Med Chem 18: 5449-56 (2010) Article DOI: 10.1016/j.bmc.2010.04.050 BindingDB Entry DOI: 10.7270/Q2Q52QMC
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50326559 (4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...) Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24| Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	5.0	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5				Bioorg Med Chem 18: 5449-56 (2010) Article DOI: 10.1016/j.bmc.2010.04.050 BindingDB Entry DOI: 10.7270/Q2Q52QMC
					More data for this Ligand-Target Pair