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SMILES Nc1c(Br)cc(cc1Br)S(N)(=O)=O

InChI Key InChIKey=DLXJPWSYRLLYSV-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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11611   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Agricultural Sciences and Veterinary Medicine

LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  68nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8CR9PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  73nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5P89PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  73nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8CR9PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  73nMpH: 7.5Assay Description:Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6JRWPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  73nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53M44PubMed
TargetCarbonic anhydrase 4(Bos taurus (bovine))
University of Agricultural Sciences and Veterinary Medicine

LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  175nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8CR9PubMed
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Università degli Studi di Firenze

LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  410nM ΔG°:  -8.71kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9V4FPubMed
TargetCarbonic anhydrase(Astrosclera willeyana)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  965nMAssay Description:Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5P89PubMed
TargetSiderophore-binding protein(Mycobacterium tuberculosis)
Università degli Studi di Firenze

LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  2.03E+3nM ΔG°:  -7.76kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9V4FPubMed
TargetCarbonic anhydrase 2(Mycobacterium tuberculosis)
Università degli Studi di Firenze

LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  4.52E+3nM ΔG°:  -7.29kcal/molepH: 8.3 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9V4FPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  9.65E+3nMpH: 7.5Assay Description:Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6JRWPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  9.65E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5P89PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  9.65E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XK8CR9PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  9.65E+3nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53M44PubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM11611(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)copy SMILEScopy InChI
Affinity DataKi:  1.07E+4nMAssay Description:Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8NJ9PubMed