BindingDB PrimarySearch

BDBM50209683 (R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropanoic acid::2-[4-(9-Bromo-2,3-dimethyl-naphtho[2,3-b]thiophen-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propionic acid::CHEMBL184041::Ertiprotafib

SMILES: Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C

InChI Key: InChIKey=FONCZICQWCUXEB-RUZDIDTESA-N

Data: 1 KI 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50209683
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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 2760-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.069 BindingDB Entry DOI: 10.7270/Q2445N91
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 2728-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.001 BindingDB Entry DOI: 10.7270/Q2W958WN
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of IKKbeta after 30 mins				Bioorg Med Chem Lett 17: 2728-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.001 BindingDB Entry DOI: 10.7270/Q2W958WN
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 19: 6161-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.020 BindingDB Entry DOI: 10.7270/Q20P102S
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B (1 to 299 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 30 mins followed by ...				J Nat Prod 83: 1598-1610 (2020)
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 2760-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.069 BindingDB Entry DOI: 10.7270/Q2445N91
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B after 10 mins				Bioorg Med Chem Lett 17: 5357-60 (2007) Article DOI: 10.1016/j.bmcl.2007.08.019 BindingDB Entry DOI: 10.7270/Q2BK1D55
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP hydrolase assay				Eur J Med Chem 44: 3280-4 (2009) Article DOI: 10.1016/j.ejmech.2009.02.011 BindingDB Entry DOI: 10.7270/Q2JH3N4J
Sejong University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
Xi'an Jiaotong University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 299) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate				Bioorg Med Chem 23: 2786-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.075 BindingDB Entry DOI: 10.7270/Q2BG2QQD
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical Industries Curated by ChEMBL					Assay Description Inhibition of PTB1B using pNPP as substrate after 30 mins				Bioorg Med Chem 20: 1060-75 (2012) Article DOI: 10.1016/j.bmc.2011.11.035 BindingDB Entry DOI: 10.7270/Q2BC3ZZS
Kyoto Pharmaceutical Industries Curated by ChEMBL					More data for this Ligand-Target Pair