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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1

InChI Key: InChIKey=NTTAABZMCNCTIG-RGVLZGJSSA-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 = 50513668   
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))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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8.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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8.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniChem
Article
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130n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
More data for this
Ligand-Target Pair