SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.2
BDBM50118744

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

Found 12 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Receptor-type tyrosine-protein phosphatase beta (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRB				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to PTP1B				Bioorg Med Chem Lett 15: 5521-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.078 BindingDB Entry DOI: 10.7270/Q2TF0139
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP1B), using p-nitrophenyl phosphate substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPN2				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Binding affinity to human recombinant PTP1B				Bioorg Med Chem Lett 20: 3329-37 (2010) Article DOI: 10.1016/j.bmcl.2010.04.033 BindingDB Entry DOI: 10.7270/Q27D2WCC
Tsinghua University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase epsilon (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRE				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRC				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRA				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), using p-nitrophenyl phosphate substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPN6				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRF				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50118744 (2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...) Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against protein-tyrosine phosphatase Lar, using p-nitrophenyl phosphate as substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair