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SMILES: NS(=O)(=O)c1cnccc1NCC=C

InChI Key: InChIKey=HYUSVYAJBKXAKB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50320513   
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 9


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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12n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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16.9n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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133n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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143n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human full length carbonic anhydrase 14 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
PDB
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NCI pathway
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UniChem
Article
PubMed
8.86E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair