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SMILES: NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl

InChI Key: InChIKey=NFESGNOLEXZHKX-UHFFFAOYSA-N

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 4 hits for monomerid = 50019584   
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))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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Article
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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PubMed
15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
671n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair