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BDBM11414 2-(2-Methoxyethyl)-3-[(4-morpholinyl)methyl]-2H-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::2-(2-methoxyethyl)-3-(morpholin-4-ylmethyl)-1,1-dioxo-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 21::Compound 17h1

SMILES: COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=MSYLNLLWLRHXBJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 11414   
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))
BDBM11414
PNG
(2-(2-Methoxyethyl)-3-[(4-morpholinyl)methyl]-2H-th...)
Show SMILES COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
Show InChI InChI=1S/C14H21N3O6S3/c1-22-5-4-17-12(10-16-2-6-23-7-3-16)8-11-9-13(25(15,18)19)24-14(11)26(17,20)21/h8-9H,2-7,10H2,1H3,(H2,15,18,19)
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PC cid
PC sid
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Similars

Article
PubMed
0.220n/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: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM11414
PNG
(2-(2-Methoxyethyl)-3-[(4-morpholinyl)methyl]-2H-th...)
Show SMILES COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
Show InChI InChI=1S/C14H21N3O6S3/c1-22-5-4-17-12(10-16-2-6-23-7-3-16)8-11-9-13(25(15,18)19)24-14(11)26(17,20)21/h8-9H,2-7,10H2,1H3,(H2,15,18,19)
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UniChem

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Article
PubMed
n/an/a 39.9n/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: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11414
PNG
(2-(2-Methoxyethyl)-3-[(4-morpholinyl)methyl]-2H-th...)
Show SMILES COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
Show InChI InChI=1S/C14H21N3O6S3/c1-22-5-4-17-12(10-16-2-6-23-7-3-16)8-11-9-13(25(15,18)19)24-14(11)26(17,20)21/h8-9H,2-7,10H2,1H3,(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.58n/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: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair