BDBM13815 ({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid::CHEMBL416145::benzotriazole phenyldifluoromethylphosphonic acid compound 2

SMILES: OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1

InChI Key: InChIKey=DZAZPBQYQDQTEN-FMIVXFBMSA-N

Data: 6 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 13815   

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 (PTP1B) (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	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				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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
Leukocyte common antigen (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibitory activity against CD45 protein-tyrosine phosphatase				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against T cell protein tyrosine phosphatase				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay				Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404
					More data for this Ligand-Target Pair				3D Structure (docked)