BDBM50118786 6-(3-Methoxy-benzyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid::CHEMBL137989

SMILES: COc1cccc(CN2CCc3c(C2)sc(NC(=O)C(O)=O)c3C(O)=O)c1

InChI Key: InChIKey=CEOJCMQCQZMARJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50118786   

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))	BDBM50118786 (6-(3-Methoxy-benzyl)-2-(oxalyl-amino)-4,5,6,7-tetr...) Show SMILES COc1cccc(CN2CCc3c(C2)sc(NC(=O)C(O)=O)c3C(O)=O)c1 Show InChI InChI=1S/C18H18N2O6S/c1-26-11-4-2-3-10(7-11)8-20-6-5-12-13(9-20)27-16(14(12)17(22)23)19-15(21)18(24)25/h2-4,7H,5-6,8-9H2,1H3,(H,19,21)(H,22,23)(H,24,25)	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	700	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))	BDBM50118786 (6-(3-Methoxy-benzyl)-2-(oxalyl-amino)-4,5,6,7-tetr...) Show SMILES COc1cccc(CN2CCc3c(C2)sc(NC(=O)C(O)=O)c3C(O)=O)c1 Show InChI InChI=1S/C18H18N2O6S/c1-26-11-4-2-3-10(7-11)8-20-6-5-12-13(9-20)27-16(14(12)17(22)23)19-15(21)18(24)25/h2-4,7H,5-6,8-9H2,1H3,(H,19,21)(H,22,23)(H,24,25)	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	8.30E+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
					More data for this Ligand-Target Pair