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SMILES: NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl

InChI Key: InChIKey=IBQJNNPDEPQPIB-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 = 50019583   
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))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
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8n/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 9


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
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13n/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 2


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
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28n/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))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
PDB
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NCI pathway
Reactome pathway
KEGG

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Article
PubMed
568n/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