BDBM50118783 2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-6lambda*4*-thieno[2,3-c]thiopyran-3-carboxylic acid::2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-thieno[2,3-c]thiopyran-3-carboxylic acid::CHEMBL139422

SMILES: OC(=O)C(=O)Nc1sc2CS(=O)CCc2c1C(O)=O

InChI Key: InChIKey=NYUBVGIZLVAELS-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50118783   

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))	BDBM50118783 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-6lambda*...) Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)CCc2c1C(O)=O Show InChI InChI=1S/C10H9NO6S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-19(17)3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)	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	5.10E+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 1B (Homo sapiens (Human))	BDBM50118783 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-6lambda*...) Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)CCc2c1C(O)=O Show InChI InChI=1S/C10H9NO6S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-19(17)3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)	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	5.13E+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 alpha (Homo sapiens (Human))	BDBM50118783 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-6lambda*...) Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)CCc2c1C(O)=O Show InChI InChI=1S/C10H9NO6S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-19(17)3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.63E+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
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118783 (2-(Oxalyl-amino)-6-oxo-4,5,6,7-tetrahydro-6lambda*...) Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)CCc2c1C(O)=O Show InChI InChI=1S/C10H9NO6S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-19(17)3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)	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