BDBM50135835 (isoquinolin-1-ylamino)methylenediphosphonic acid::1-[(Bis-phosphono-methyl)-amino]-isoquinolinium::CHEMBL291727::[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID

SMILES OP(O)(=O)C(Nc1nccc2ccccc12)P(O)(O)=O

InChI Key InChIKey=JPVMIOWESIQIGB-UHFFFAOYSA-N

Data  2 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50135835   

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

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataKi:  41nMAssay 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(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataKi:  3.27E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preinc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPolyprenyl synthetase family protein(Leishmania donovani)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataIC50:  430nMAssay Description:Inhibitory activity against Leishmania major Farnesyl diphosphate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target1-deoxy-D-xylulose 5-phosphate reductoisomerase(Escherichia coli (strain K12))
Birla Institute of Technology and Science-Pilani

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataIC50:  4.00E+3nMAssay Description:Antagonism of the norepinephrine induced contraction of rat isolated prostatic vas deferens.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataIC50:  427nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target1-deoxy-D-xylulose 5-phosphate reductoisomerase(Escherichia coli (strain K12))
Birla Institute of Technology and Science-Pilani

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of Escherichia coli DXRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50135835((isoquinolin-1-ylamino)methylenediphosphonic acid ...)
Affinity DataIC50:  430nMAssay Description:Inhibitory activity against farnesyl Pyrophosphate Synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed