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BDBM45795 4-methyl-N-(2-naphthalenyl)benzenesulfonamide::4-methyl-N-(2-naphthyl)benzenesulfonamide::4-methyl-N-naphthalen-2-yl-benzenesulfonamide::4-methyl-N-naphthalen-2-ylbenzenesulfonamide::CA inhibitor, 3::MLS-0090805.0001::cid_224144

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1

InChI Key: InChIKey=HEXCXGXJELSYJW-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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 = 45795   
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 1


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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Article
PubMed
181 -9.19n/an/an/an/an/a7.525



Ataturk University



Assay Description
An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 294-8 (2013)


Article DOI: 10.3109/14756366.2012.658788
BindingDB Entry DOI: 10.7270/Q2TH8KKX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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Article
PubMed
485 -8.61n/an/an/an/an/a7.525



Ataturk University



Assay Description
An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 294-8 (2013)


Article DOI: 10.3109/14756366.2012.658788
BindingDB Entry DOI: 10.7270/Q2TH8KKX
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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Article
PubMed
n/an/a 4.24E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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Article
PubMed
n/an/a 3.22E+5n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
KEGG

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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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PC sid
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Article
PubMed
n/an/a 612n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair