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: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 13076   

TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataIC50: 5.50E+3nMpH: 7.4 T: 2°CAssay Description:Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCarbonic anhydrase(Sulfurihydrogenibium sp. (strain YO3AOP1))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase(African malaria mosquito)
University of Tampere and Tampere University Hospital

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  32nMAssay Description:Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay 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
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMpH: 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
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nM ΔG°:  -8.91kcal/molepH: 7.4 T: 2°CAssay 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
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Marburg

LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  290nMAssay Description:Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase, alpha family(Thiomicrospira crunogena (strain XCL-2))
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay 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
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nM ΔG°:  -8.84kcal/molepH: 7.4 T: 2°CAssay 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
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMpH: 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
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13076(JFD00715 | cid_3639 | 6-chloro-1,1-dioxo-3,4-dihyd...)
Affinity DataKi:  328nMAssay Description:Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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