BindingDB PrimarySearch

BDBM14258 4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)phenyl]thiophene-2-carboxylic acid::CHEMBL214378::Monocyclic thiophene analog 27

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1

InChI Key: InChIKey=PTBNMQSAVVUNTG-UHFFFAOYSA-N

Data: 6 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 14258
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	-8.41	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem Lett 16: 4941-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.051 BindingDB Entry DOI: 10.7270/Q24J0CBD
Wyeth Research					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPN1				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	-8.30	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem Lett 16: 4941-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.051 BindingDB Entry DOI: 10.7270/Q24J0CBD
Wyeth Research					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPN2				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Leukocyte common antigen (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRC				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by ChEMBL					Assay Description Inhibition of PTPRF				J Med Chem 52: 6649-59 (2009) Article DOI: 10.1021/jm9008899 BindingDB Entry DOI: 10.7270/Q29023T5
University of Miami Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM14258 (4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of LAR (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair