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BDBM11409 2-(1-Methylethyl)-3-[(4-morpholinyl)methyl]-2H-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 16::3-(morpholin-4-ylmethyl)-1,1-dioxo-2-(propan-2-yl)-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::Compound 17d1

SMILES: CC(C)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=BCLOQOFEMRPNAZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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

Found 2 hits for monomerid = 11409   
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))
BDBM11409
PNG
(2-(1-Methylethyl)-3-[(4-morpholinyl)methyl]-2H-thi...)
Show SMILES CC(C)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
Show InChI InChI=1S/C14H21N3O5S3/c1-10(2)17-12(9-16-3-5-22-6-4-16)7-11-8-13(24(15,18)19)23-14(11)25(17,20)21/h7-8,10H,3-6,9H2,1-2H3,(H2,15,18,19)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
0.330n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11409
PNG
(2-(1-Methylethyl)-3-[(4-morpholinyl)methyl]-2H-thi...)
Show SMILES CC(C)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
Show InChI InChI=1S/C14H21N3O5S3/c1-10(2)17-12(9-16-3-5-22-6-4-16)7-11-8-13(24(15,18)19)23-14(11)25(17,20)21/h7-8,10H,3-6,9H2,1-2H3,(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.46n/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
3D
3D Structure (docked)