BindingDB PrimarySearch

BDBM50142317 (2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluoromethylphosphonic acid::CHEMBL8758::{[2-Bromo-4-(3-oxo-2,3-diphenyl-propyl)-phenyl]-difluoro-methyl}-phosphonic acid

SMILES: OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br

InChI Key: InChIKey=WDTMVBQZDFMOIK-UHFFFAOYSA-N

Data: 10 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50142317
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))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against CD45 protein-tyrosine phosphatase				Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of TCPTP				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in sf9 cells				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of PTP1B by fluorescein diphosphate assay				Bioorg Med Chem Lett 18: 3200-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.064 BindingDB Entry DOI: 10.7270/Q24M95DX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
Advinus Therapeutics Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	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) using p-NPP as substrate measured every 30 secs for 15 mins				Eur J Med Chem 134: 24-33 (2017) Article DOI: 10.1016/j.ejmech.2017.04.004 BindingDB Entry DOI: 10.7270/Q2WD42QK
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) 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 PDB UniChem Patents	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) by FDP assay				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50142317 ((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CD45 by fluorescein diphosphate assay				Bioorg Med Chem Lett 18: 3200-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.064 BindingDB Entry DOI: 10.7270/Q24M95DX
					More data for this Ligand-Target Pair