Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.6 BDBM50326558

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))	BDBM50326558 (10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8| Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	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 alpha (Homo sapiens (Human))	BDBM50326558 (10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8| Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+4	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
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50326558 (10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8| Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+5	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