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BDBM50124161 CHEMBL168526::N-benzylsulfamide

SMILES: NS(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=SYKLNLIUTCAYCR-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50124161   
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))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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Article
PubMed
120n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB
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PubMed
123n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB
MMDB

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Article
PubMed
130n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB
MMDB

NCI pathway
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PubMed
133n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB
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Article
PubMed
300n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB

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KEGG

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CHEMBL
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PC sid
UniChem

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Article
PubMed
840n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
PDB
MMDB

Reactome pathway
KEGG

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Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
940n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair