BDBM50103227 6-(Difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid::CHEMBL99447

SMILES: OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O

InChI Key: InChIKey=NKGNOWNPXBURRW-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50103227   

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))	BDBM50103227 (6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...) Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Protein-tyrosine phosphatase 1B was determined				Bioorg Med Chem Lett 13: 3005-7 (2003) BindingDB Entry DOI: 10.7270/Q22F7MV1
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50103227 (6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...) Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair				3D Structure (docked)