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PubMed code 23895630

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM92494
PNG
(Citrate | SODIUM CITRATE)
Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
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 4.14E+4 -24.6n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159796
PNG
(2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5...)
Show SMILES [O-]C(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)/p-1
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 5.12E+4 -24.1n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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 6.45E+4 -23.5n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50257203
PNG
(CHEMBL449139 | sodium maleate)
Show SMILES [O-]C(=O)\C=C/C([O-])=O
Show InChI InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-
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 7.32E+4 -23.2n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159794
PNG
(CHEMBL1357 | SODIUM LACTATE | Sodium; 2-hydroxy-pr...)
Show SMILES CC(O)C([O-])=O
Show InChI InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
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 7.41E+4 -23.2n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM36182
PNG
(CHEMBL509357 | pentanoate | valerate)
Show SMILES CCCCC([O-])=O
Show InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
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 7.75E+4 -23.1n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50079401
PNG
(CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)
Show SMILES CCCC([O-])=O
Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
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 8.23E+4 -22.9n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50257201
PNG
(CHEMBL500826 | sodium propionate)
Show SMILES CCC([O-])=O
Show InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
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 9.10E+4 -22.7n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159798
PNG
(CHEMBL182856 | Sodium; L-Malate)
Show SMILES OC(CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
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 9.25E+4 -22.6n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM92964
PNG
(CHEMBL182928 | Oxalate)
Show SMILES [O-]C(=O)C([O-])=O
Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
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 9.30E+4 -22.6n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159793
PNG
(CHEMBL1354 | Natriumazetat | SODIUM ACETATE ANHYDR...)
Show SMILES CC([O-])=O
Show InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
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 9.51E+4 -22.6n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50155538
PNG
(CHEMBL183491 | Sodium; formate | sodium formate)
Show SMILES [O-]C=O
Show InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
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 9.75E+4 -22.5n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159797
PNG
(CHEMBL359504 | Sodium; Malonate | sodium malonate)
Show SMILES [O-]C(=O)CC([O-])=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
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 1.00E+5 -22.4n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
Carbonic anhydrase [110-330]


(Flaveria bidentis (Coastal plain yellowtops))		BDBM50159792
PNG
(CHEMBL181886 | Natriumpyruvat | Pyruvate | pyruvic...)
Show SMILES CC(=O)C([O-])=O
Show InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
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>1.00E+7>-11.2n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.

J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%