BDBM50115109 (5-chloropyridin-2-ylamino)methylenediphosphonic acid::CHEMBL54714::[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid::[[(5-chloro-2-pyridinyl)amino]methylene]-1,1-bisphosphonate

SMILES OP(O)(=O)C(Nc1ccc(Cl)cn1)P(O)(O)=O

InChI Key InChIKey=BNMYZGAZFGNKTH-UHFFFAOYSA-N

Data  1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50115109   

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50115109((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Affinity DataKi:  23nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target1-deoxy-D-xylulose 5-phosphate reductoisomerase(Escherichia coli (strain K12))
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50115109((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of Escherichia coli DXRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50115109((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Affinity DataIC50:  240nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetFarnesyl pyrophosphate synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50115109((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Affinity DataIC50:  240nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene synthase(Human)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50115109((5-chloropyridin-2-ylamino)methylenediphosphonic a...)
Affinity DataIC50:  240nMAssay Description:Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed