BDBM13076 6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide::BMCL182567 Compound 6a::Dichlothiazide::Hydro-D::Hydrochlorothiazide::Hypothiazide::JFD00715::Oretic::cid_3639

SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl

InChI Key InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N

Data  59 KI  6 IC50  1 EC50

PDB links: 2 PDB IDs match 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 21 hits for monomerid = 13076   

TargetCarbonic anhydrase(Sulfurihydrogenibium sp. (strain YO3AOP1))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  7.20nMAssay Description:Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  290nMAssay Description:Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase, alpha family(Thiomicrospira crunogena (strain XCL-2))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  296nMAssay Description:Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  328nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta carbonic anhydrase(Thalassiosira weissflogii)
Universit£

Curated by ChEMBL
LigandPNGBDBM13076(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Affinity DataKi:  4.27E+3nMAssay Description:Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed