BDBM50115102 (1-Hydroxy-1-phosphono-ethyl)-phosphonic acid::CHEMBL871::Didronel::ETIDRONATE::Etidronic Acid

SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=DBVJJBKOTRCVKF-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50115102   

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
Type IV secretion-like conjugative transfer relaxase protein TraI (Escherichia coli (strain SMS-3-5 / SECEC))	BDBM50115102 ((1-Hydroxy-1-phosphono-ethyl)-phosphonic acid | CH...) Show SMILES CC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay				Proc Natl Acad Sci U S A 104: 12282-7 (2007) Article DOI: 10.1073/pnas.0702760104 BindingDB Entry DOI: 10.7270/Q2PK0JXD
					More data for this Ligand-Target Pair
Inositol-1(or 4)-monophosphatase 1 (Bos taurus)	BDBM50115102 ((1-Hydroxy-1-phosphono-ethyl)-phosphonic acid | CH...) Show SMILES CC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Inositol monophosphatase				Bioorg Med Chem Lett 2: 627-630 (1992) Article DOI: 10.1016/S0960-894X(01)81212-9 BindingDB Entry DOI: 10.7270/Q2QF8SSG
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50115102 ((1-Hydroxy-1-phosphono-ethyl)-phosphonic acid | CH...) Show SMILES CC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair