BDBM50086645 [4-(4-hydroxybenzyl)phenoxy]methylphosphonate

SMILES: Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1

InChI Key: InChIKey=XKGAUPIIDJVABF-UHFFFAOYSA-L

Data: 2 KI

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 2 hits for monomerid = 50086645   

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))	BDBM50086645 ([4-(4-hydroxybenzyl)phenoxy]methylphosphonate) Show SMILES Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1 Show InChI InChI=1S/C14H15O5P/c15-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )				Bioorg Med Chem Lett 10: 457-60 (2000) BindingDB Entry DOI: 10.7270/Q2J966W3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM50086645 ([4-(4-hydroxybenzyl)phenoxy]methylphosphonate) Show SMILES Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1 Show InChI InChI=1S/C14H15O5P/c15-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR				Bioorg Med Chem Lett 10: 457-60 (2000) BindingDB Entry DOI: 10.7270/Q2J966W3
					More data for this Ligand-Target Pair