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BDBM11415 2-(2-Methoxyethyl)-3-[[bis(2-methoxyethyl)amino]methyl]-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide hydrochloride::2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 22::3-{[bis(2-methoxyethyl)amino]methyl}-2-(2-methoxyethyl)-1,1-dioxo-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide hydrochloride::Compound 17h2

SMILES: COCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1CCOC)S(N)(=O)=O

InChI Key: InChIKey=XFXOAMVXWCAOLA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11415
PNG
(2-(2-Methoxyethyl)-3-[[bis(2-methoxyethyl)amino]me...)
Show SMILES COCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1CCOC)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C16H27N3O7S3/c1-24-7-4-18(5-8-25-2)12-14-10-13-11-15(28(17,20)21)27-16(13)29(22,23)19(14)6-9-26-3/h10-11H,4-9,12H2,1-3H3,(H2,17,20,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11415
PNG
(2-(2-Methoxyethyl)-3-[[bis(2-methoxyethyl)amino]me...)
Show SMILES COCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1CCOC)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C16H27N3O7S3/c1-24-7-4-18(5-8-25-2)12-14-10-13-11-15(28(17,20)21)27-16(13)29(22,23)19(14)6-9-26-3/h10-11H,4-9,12H2,1-3H3,(H2,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.41n/an/an/an/an/an/a



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair