BDBM50373099 CHEMBL99553::NE-10575

SMILES C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI Key InChIKey=BBNRLGQPSIXFHZ-UHFFFAOYSA-O

Data  2 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50373099   

TargetFarnesyl pyrophosphate synthase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50373099(NE-10575 | CHEMBL99553)
Affinity DataIC50: 19.6nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50373099(NE-10575 | CHEMBL99553)
Affinity DataIC50: 1.71E+3nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target4-hydroxy-3-methylbut-2-enyl diphosphate reductase(Aquifex aeolicus (strain VF5))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50373099(NE-10575 | CHEMBL99553)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetFarnesyl pyrophosphate synthase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50373099(NE-10575 | CHEMBL99553)
Affinity DataKi:  3.90nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetFarnesyl pyrophosphate synthase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50373099(NE-10575 | CHEMBL99553)
Affinity DataKi:  177nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)