BDBM50118756 3-(carboxyformamido)-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid::5-(3,5-Dimethoxy-phenyl)-3-(oxalyl-amino)-thiophene-2-carboxylic acid::CHEMBL139491

SMILES: COc1cc(OC)cc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=MFTGULQHVOTTAW-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 = 50118756   

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))	BDBM50118756 (3-(carboxyformamido)-5-(3,5-dimethoxyphenyl)thioph...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C15H13NO7S/c1-22-8-3-7(4-9(5-8)23-2)11-6-10(12(24-11)14(18)19)16-13(17)15(20)21/h3-6H,1-2H3,(H,16,17)(H,18,19)(H,20,21)	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	7.94E+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))	BDBM50118756 (3-(carboxyformamido)-5-(3,5-dimethoxyphenyl)thioph...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C15H13NO7S/c1-22-8-3-7(4-9(5-8)23-2)11-6-10(12(24-11)14(18)19)16-13(17)15(20)21/h3-6H,1-2H3,(H,16,17)(H,18,19)(H,20,21)	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	8.00E+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))	BDBM50118756 (3-(carboxyformamido)-5-(3,5-dimethoxyphenyl)thioph...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C15H13NO7S/c1-22-8-3-7(4-9(5-8)23-2)11-6-10(12(24-11)14(18)19)16-13(17)15(20)21/h3-6H,1-2H3,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.79E+6	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))	BDBM50118756 (3-(carboxyformamido)-5-(3,5-dimethoxyphenyl)thioph...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C15H13NO7S/c1-22-8-3-7(4-9(5-8)23-2)11-6-10(12(24-11)14(18)19)16-13(17)15(20)21/h3-6H,1-2H3,(H,16,17)(H,18,19)(H,20,21)	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