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Compile Data Set for Download or QSAR

Found 6 hits of Enz. Inhib. data with enzyme = 'Carbonic anhydrase 1' and Substrate = 'BDBM246520'   
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))
BDBM246518
PNG
(N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methane...)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-10(13-18(3,14)15)5-9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
4.60E+4n/a 2.66E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246514
PNG
(N-(5,6-dimethoxyindane-1-yl)methanesulfonamide (28...)
Show SMILES COc1cc2CCC(NS(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-5-10(13-18(3,14)15)9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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UniChem
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5.20E+4n/a 4.87E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246519
PNG
(N-(Indane-2-yl)methanesulfonamide (33))
Show SMILES CS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7H2,1H3
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UniChem
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1.04E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246515
PNG
(N-(Indane-1-yl)methanesulfonamide (29))
Show SMILES CS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3
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1.73E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246516
PNG
(N-(5-metoksi-1,2,3,4-tetrahydronaphthalene-1-yl)me...)
Show SMILES COc1cccc2C(CCCc12)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO3S/c1-16-12-8-4-5-9-10(12)6-3-7-11(9)13-17(2,14)15/h4-5,8,11,13H,3,6-7H2,1-2H3
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UniChem
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1.85E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246517
PNG
(N-(1,2,3,4-tetrahydronaphthalene -2-yl)methanesulf...)
Show SMILES CS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C11H15NO2S/c1-15(13,14)12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11-12H,6-8H2,1H3
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UniChem
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2.28E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair