BindingDB PrimarySearch

BDBM13814 ({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid::benzotriazole phenyldifluoromethylphosphonic acid compound 1

SMILES: COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12

InChI Key: InChIKey=GWWTUJWRRCTCSI-JXMROGBWSA-N

Data: 10 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 13814
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 (PTP1B) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (L119V) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)
T-Cell Protein-Tyrosine Phosphatase (TCPTP) Mutant (V121L) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human TCPTP (1 to 296 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as substrate by...				Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (M114V) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (V113L/M114V) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (G117E) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of flag-tagged human PTP1B (1 to 298 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as ...				Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B) Mutant (V113I) (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
Merck Frosst Center for Therapeutic Research					More data for this Ligand-Target Pair				3D Structure (crystal)