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SMILES: NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1

InChI Key: InChIKey=UWQJQPAXOZOEIZ-FYJGNVAPSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029067   
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))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
PDB
MMDB

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Article
PubMed
162n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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Article
PubMed
617n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
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Article
PubMed
682n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029067
PNG
(CHEMBL3343262)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Similars

Article
PubMed
4.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair