BDBM50142311 CHEMBL266056::[(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-2,3-diphenyl-propyl}-phenyl)-difluoro-methyl]-phosphonic acid

SMILES: OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=IZDWSIZSMHRZPZ-UHFFFAOYSA-N

Data: 6 IC50

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 = 50142311   

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))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+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) was determined in fluorescein diphosphate (FDP) 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 (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	580	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 (docked)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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 (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	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) was determined in fluorescein diphosphate (FDP) 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 (docked)
Leukocyte common antigen (Homo sapiens (Human))	BDBM50142311 (CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 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