BDBM25288 BPH-629::[1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethyl]phosphonic acid::bisphosphonate, 8

SMILES OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=BYVXAUZOTGITQZ-UHFFFAOYSA-N

Data  2 KI  5 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 25288   

TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
Institute Of Biological Chemistry

Curated by ChEMBL
LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataKi:  110nMAssay Description:Binding affinity to human GGPPSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGeranylgeranyl pyrophosphate synthase BTS1(Saccharomyces cerevisiae (Yeast))
Institute Of Biological Chemistry

Curated by ChEMBL
LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataKi:  110nMAssay Description:Binding affinity to Saccharomyces cerevisiae GGPPSMore data for this Ligand-Target Pair
TargetTuberculosinyl adenosine transferase(Mycobacterium tuberculosis H37Rv)
University Of California San Diego

LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataIC50:  210nMAssay Description:For inhibition assay of Rv3378c, using tuberculosinyl diphosphate and adenosine as substrates, a mixture of 100 µM TPP, 100 µM adenosine,75 µg/mL Rv3...More data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
Institute Of Biological Chemistry

Curated by ChEMBL
LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human GGPPSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDecaprenyl diphosphate synthase(Mycobacterium tuberculosis H37Rv)
University Of California San Diego

LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataIC50:  1.90E+4nMpH: 7.5Assay Description:We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
Institute Of Biological Chemistry

Curated by ChEMBL
LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataIC50:  3.98E+3nMAssay Description:The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGeranylgeranyl pyrophosphate synthase BTS1(Saccharomyces cerevisiae (Yeast))
Institute Of Biological Chemistry

Curated by ChEMBL
LigandPNGBDBM25288(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Affinity DataIC50:  280nMAssay Description:Inhibition of Saccharomyces cerevisiae GGPPSMore data for this Ligand-Target Pair