BDBM14255 4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phenyl]thiophene-2-carboxylic acid::Monocyclic thiophene analog 24

SMILES: CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=VSRQARFUSCWMHO-UHFFFAOYSA-N

Data: 6 KI

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 6 hits for monomerid = 14255   

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))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-8.18	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
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	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
					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	-6.88	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
					More data for this Ligand-Target Pair				3D Structure (docked)
Leukocyte common antigen (Homo sapiens (Human))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+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
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM14255 (4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...) Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	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
					More data for this Ligand-Target Pair