BDBM12578 2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosphonic acid::Bisphosphonate 3::CGP-42446::CHEMBL924::JMC515594 Compound 55::Reclast::US11279719, Example Zolendronic acid (ZOL)::ZOL::Zoledronate::Zometa::[1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid::zoledronic acid

SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=XRASPMIURGNCCH-UHFFFAOYSA-N

Data  7 KI  66 IC50  5 EC50  2 ITC

PDB links: 20 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12578   

TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataKi:  11nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataIC50:  110nMAssay Description:Inhibitory activity against Leishmania major Farnesyl diphosphate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assayMore data for this Ligand-Target Pair
TargetH(+)-exporting diphosphatase(Trypanosoma brucei)
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataIC50:  2.27E+5nMAssay Description:Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataIC50:  0.240nMAssay Description:Negative logarithm of inhibitory concentration against bone resorptionMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 12578   

CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign

SyringePNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
ITC DataΔG°: -9.91kcal/mole −TΔS°: -11.6kcal/mole ΔH°: 1.65kcal/mole logk: 2.04E+7
pH: 7.4 T: 26.85°C 
CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois At Urbana-Champaign

SyringePNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
ITC DataΔG°: -9.04kcal/mole −TΔS°: -4.31kcal/mole ΔH°: -4.75kcal/mole logk: 4.60E+6
pH: 8.5 T: 26.85°C