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BDBM50135836 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-1-ium::CHEMBL340034::ZOLEDRONIC ACID

SMILES: OC(C[n+]1cc[nH]c1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=OVARJRDCUIDTGY-UHFFFAOYSA-O

Data: 1 KI  2 IC50

PDB links: 15 PDB IDs match 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 = 50135836   
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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135836
PNG
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)
Show SMILES OC(C[n+]1cc[nH]c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H4,9,10,11,12,13,14)/p+1
PDB
MMDB

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CHEBI
CHEMBL
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135836
PNG
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)
Show SMILES OC(C[n+]1cc[nH]c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H4,9,10,11,12,13,14)/p+1
PDB
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CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135836
PNG
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)
Show SMILES OC(C[n+]1cc[nH]c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H4,9,10,11,12,13,14)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase was determined


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)