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BDBM50044857 CA inhibitor, 4::CHEMBL3311314

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

InChI Key: InChIKey=ANVUKJDKJYJFNE-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 EC50

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 = 50044857   
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))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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MMDB

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Article
PubMed
290 -8.91n/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 1


(Homo sapiens (Human))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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Article
PubMed
612 -8.47n/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
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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PubMed
n/an/a 425n/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))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
PDB
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Article
PubMed
n/an/a 2.49E+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
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.22E+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