BDBM10885 (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::(R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide 1,1-dioxide::AL-4862::Azopt::Brinzolamide (BRZ)::brinzolamide

SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key InChIKey=HCRKCZRJWPKOAR-JTQLQIEISA-N

Data  191 KI  9 IC50  3 Kd

PDB links: 4 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:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 10885   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  0.126nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  0.130nM ΔG°:  -14.0kcal/molepH: 7.4 T: 2°CAssay Description:Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  0.313nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Ki value against human carbonic anhydrase II (hCA II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cloned CA2 by CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cloned CA2 by CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cloned full length carbonic anhydrase 2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human full length carbonic anhydrase 2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydr...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of full length human CA 2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMpH: 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMpH: 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Theravance

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKi:  3nMAssay Description:Inhibitory activity against human carbonic anhydrase IIMore data for this Ligand-Target Pair