BDBM50118774 6-Benzyl-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid::6-benzyl-2-(carboxyformamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL138951

SMILES: OC(=O)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O

InChI Key: InChIKey=DNUOCYUTEIKZFI-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 = 50118774   

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))	BDBM50118774 (6-Benzyl-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thien...) Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C17H16N2O5S/c20-14(17(23)24)18-15-13(16(21)22)11-6-7-19(9-12(11)25-15)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,20)(H,21,22)(H,23,24)	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	1.00E+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 1B (Homo sapiens (Human))	BDBM50118774 (6-Benzyl-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thien...) Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C17H16N2O5S/c20-14(17(23)24)18-15-13(16(21)22)11-6-7-19(9-12(11)25-15)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,20)(H,21,22)(H,23,24)	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	1.40E+4	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
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50118774 (6-Benzyl-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thien...) Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C17H16N2O5S/c20-14(17(23)24)18-15-13(16(21)22)11-6-7-19(9-12(11)25-15)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,20)(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	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
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118774 (6-Benzyl-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thien...) Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C17H16N2O5S/c20-14(17(23)24)18-15-13(16(21)22)11-6-7-19(9-12(11)25-15)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,20)(H,21,22)(H,23,24)	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	6.31E+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
					More data for this Ligand-Target Pair