BDBM50118772 2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid::2-(carboxyformamido)-6-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid::CHEMBL138025
SMILES: OC(=O)C(=O)Nc1sc2CC(=O)CCc2c1C(O)=O
InChI Key: InChIKey=FSCFWZSWPCIYDY-UHFFFAOYSA-N
Data: 4 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50118772 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-benzo[b]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.29E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50118772 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-benzo[b]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.30E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase alpha (Homo sapiens (Human)) | BDBM50118772 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-benzo[b]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.20E+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 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50118772 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-benzo[b]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.00E+14 | 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 |