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

InChI Key InChIKey=SYHPXVAOJHTCRU-UHFFFAOYSA-N

  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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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-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetH(+)-exporting diphosphatase(Trypanosoma brucei)
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F47PX2PubMed
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222W7KPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
Affinity DataIC50: 950nMAssay Description:Inhibitory activity against Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BV7G6GPubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6MWTPubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6MWTPubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6MWTPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6MWTPubMed
TargetPhosphotransferase(Trypanosoma cruzi)
Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
Affinity DataIC50: 950nMAssay Description:Inhibition of Trypanosoma cruzi hexokinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8MXHPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL
LigandPNGBDBM50173799((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6MWTPubMed