BindingDB logo
myBDB logout

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)
LigandTarget/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
pHTemp
°C
Type IV secretion-like conjugative transfer relaxase protein TraI


(Escherichia coli (strain SMS-3-5 / SECEC))
BDBM50115102
PNG
((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
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
3n/an/an/an/an/an/an/an/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 USA 104: 12282-7 (2007)


BindingDB Entry DOI: 10.7270/Q2PK0JXD
More data for this
Ligand-Target Pair
Inositol-1(or 4)-monophosphatase 1


(Bos taurus)
BDBM50115102
PNG
((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
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
n/an/a 1.10E+5n/an/an/an/an/an/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
PNG
((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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/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