BDBM50173799 (3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate::(3-bromophenylamino)methylenediphosphonic acid::CHEMBL370662::[(3-bromo-phenylamino)-phosphono-methyl]-phosphonic acid

SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O

InChI Key InChIKey=SYHPXVAOJHTCRU-UHFFFAOYSA-N

Data  6 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50173799   

TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 950nMAssay Description:Inhibition of Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 8.29E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetCarbonic anhydrase 14(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 911nMAssay Description:Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 950nMAssay Description:Inhibitory activity against Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetH(+)-exporting diphosphatase(Trypanosoma brucei)
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  400nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  600nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  2.60E+3nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  2.90E+3nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano De Investigaciones Cient£Ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromophenylamino)methylenediphosphonic acid | [...)
Affinity DataKi:  1.06E+4nMAssay Description:Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed