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SMILES: NS(=O)(=O)c1ccc(NCc2ccccc2)cc1

InChI Key: InChIKey=HLIBJQGJVDHCNB-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 6 hits for monomerid = 50013789   
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))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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1.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
PDB
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
PDB
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20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
PDB
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Article
PubMed
21n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
117n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair