BDBM50432306 CHEMBL2347862

SMILES Cc1ccc(cc1)-c1cc2c(NC(P(O)(O)=O)P(O)(O)=O)ncnc2s1

InChI Key InChIKey=SFWLGYOMOJOLFV-UHFFFAOYSA-N

Data  5 IC50  1 Kd

PDB links: 2 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 6 hits for monomerid = 50432306   

TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataIC50:  22nMAssay Description:Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataIC50:  200nMAssay Description:Inhibition of FPPS (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataIC50:  390nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged FPPS transfected in Escherichia coli BL21 (DE3) cells using GPP and [3H]-IPP as substrate incu...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataIC50:  22nMAssay Description:Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataIC50:  390nMAssay Description:Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50432306(CHEMBL2347862)
Affinity DataKd:  3.20E+3nMAssay Description:Binding affinity to human FPPS by isothermal titration colorimetry in absence of Mg2+ ionsMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)