BindingDB PrimarySearch

BDBM50118792 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID::2-(carboxyformamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL139393

SMILES: OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O

InChI Key: InChIKey=ZIBMATWHOAGNTR-UHFFFAOYSA-N

Data: 16 KI 3 IC50

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50118792
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of PTP1B I219A mutant				Bioorg Med Chem Lett 16: 4002-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.011 BindingDB Entry DOI: 10.7270/Q2VH5NGK
Amherst College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	290	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	290	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))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of TCPTP I220A mutant				Bioorg Med Chem Lett 16: 4002-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.011 BindingDB Entry DOI: 10.7270/Q2VH5NGK
Amherst College Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant Protein-tyrosine phosphatase 1B.				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)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of wild type PTP1B				Bioorg Med Chem Lett 16: 4002-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.011 BindingDB Entry DOI: 10.7270/Q2VH5NGK
Amherst College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of T cell protein tyrosine phosphatase (TC-PTP) at pH 7.0				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 2 (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of TCPTP				Bioorg Med Chem Lett 16: 4002-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.011 BindingDB Entry DOI: 10.7270/Q2VH5NGK
Amherst College Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 2760-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.069 BindingDB Entry DOI: 10.7270/Q2445N91
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90E+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 beta (PTPβ) (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60E+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 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
Receptor-type tyrosine-protein phosphatase epsilon (PTPε) (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+6	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
Protein-tyrosine phosphatase alpha (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+6	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
Protein-tyrosine phosphatase 1C (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+6	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 (LAR) (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+6	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 5357-60 (2007) Article DOI: 10.1016/j.bmcl.2007.08.019 BindingDB Entry DOI: 10.7270/Q2BK1D55
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP hydrolase assay				Eur J Med Chem 44: 3280-4 (2009) Article DOI: 10.1016/j.ejmech.2009.02.011 BindingDB Entry DOI: 10.7270/Q2JH3N4J
Sejong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118792 (2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...) Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 2760-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.069 BindingDB Entry DOI: 10.7270/Q2445N91
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)