BDBM50326711 1,3-propanediphosphonic acid::CHEMBL1230579::PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)

SMILES: OP(O)(=O)CCCP(O)(O)=O

InChI Key: InChIKey=PUVMVPFLXCHEOY-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 = 50326711   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by uncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by noncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
					More data for this Ligand-Target Pair				3D Structure (crystal)