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BDBM50320519 4,4'-thiodipyridine-3-sulfonamide::CHEMBL1164504

SMILES: NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O

InChI Key: InChIKey=JYMNSJBFCKCLMB-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50320519   
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 12


(Homo sapiens (Human))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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Article
PubMed
4.70n/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 9


(Homo sapiens (Human))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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PubMed
47.3n/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 2


(Homo sapiens (Human))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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65n/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))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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160n/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))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
PDB
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NCI pathway
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KEGG

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Article
PubMed
1.12E+4n/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