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   

TargetButyrophilin subfamily 3 member A1(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataEC50:  487nMAssay Description:Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and C...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetButyrophilin subfamily 3 member A1(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 15 mins followed by HMBPP-treated Vgamma9Vd...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetButyrophilin subfamily 3 member A1(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataEC50:  2.30E+4nMAssay Description:Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 240 mins followed by HMBPP-treated Vgamma9V...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetButyrophilin subfamily 3 member A1(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataEC50:  7.90E+4nMAssay Description:Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 60 mins followed by HMBPP-treated Vgamma9Vd...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetButyrophilin subfamily 3 member A1(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM12578(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Affinity DataEC50:  3.06E+3nMAssay Description:Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as increase in CD69/CD25 level incubated for overnight by flow cyto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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