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BDBM210935 4-(phenyl)-bezenesulfonamide (4a)

SMILES: NS(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JVFCCRJSBNUDDU-UHFFFAOYSA-N

Data: 8 KI

PDB links: 2 PDB IDs match this monomer.

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 8 hits for monomerid = 210935   
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 (CA IX)


(Homo sapiens (Human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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UniChem
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PubMed
0.200n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
PDB
MMDB

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PC sid
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UniChem
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0.210n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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0.790n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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0.800n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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42n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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42n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
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93n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM210935
PNG
(4-(phenyl)-bezenesulfonamide (4a))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
93n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)

More data for this
Ligand-Target Pair