BDBM13816 [difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]propyl]phenyl})methyl]phosphonic acid::benzotriazole phenyldifluoromethylphosphonic acid compound 3
SMILES: Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1
InChI Key: InChIKey=PESRLXVHZYZSRI-VMPITWQZSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 163 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.60E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 1.60E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 [V121L] (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 138 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 163 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 1 [L119V] (Homo sapiens (Human)) | BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.90E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair |