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PubMed code 23685174

Compile data set for download or QSAR
Found 6 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 13


(Mus musculus (mouse))
BDBM50435885
PNG
(CHEMBL2391085)
Show SMILES Oc1ccc(CC[C@H]2C[C@H]3C[C@H](CC(=O)O3)O2)c(O)c1 |r|
Show InChI InChI=1S/C15H18O5/c16-10-3-1-9(14(17)5-10)2-4-11-6-12-7-13(19-11)8-15(18)20-12/h1,3,5,11-13,16-17H,2,4,6-8H2/t11-,12-,13+/m0/s1
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340n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50435887
PNG
(CHEMBL2391083)
Show SMILES Oc1ccc(CC[C@H]2C[C@H]3C[C@H](CC(=O)O3)O2)cc1 |r|
Show InChI InChI=1S/C15H18O4/c16-11-4-1-10(2-5-11)3-6-12-7-13-8-14(18-12)9-15(17)19-13/h1-2,4-5,12-14,16H,3,6-9H2/t12-,13-,14+/m0/s1
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910n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50435886
PNG
(CHEMBL2391084)
Show SMILES Oc1ccc(CC[C@@H](F)C[C@H]2CC=CC(=O)O2)cc1 |r,c:12|
Show InChI InChI=1S/C15H17FO3/c16-12(10-14-2-1-3-15(18)19-14)7-4-11-5-8-13(17)9-6-11/h1,3,5-6,8-9,12,14,17H,2,4,7,10H2/t12-,14-/m1/s1
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960n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50435888
PNG
(CHEMBL2391082)
Show SMILES O[C@@H](CCc1cc(Br)c(O)cc1Br)C[C@H]1CC=CC(=O)O1 |r,c:17|
Show InChI InChI=1S/C15H16Br2O4/c16-12-8-14(19)13(17)6-9(12)4-5-10(18)7-11-2-1-3-15(20)21-11/h1,3,6,8,10-11,18-19H,2,4-5,7H2/t10-,11+/m0/s1
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7.89E+3n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50435889
PNG
(CHEMBL2391081)
Show SMILES O[C@@H](CCc1ccc(O)cc1O)C[C@H]1CC=CC(=O)O1 |r,c:16|
Show InChI InChI=1S/C15H18O5/c16-11(8-13-2-1-3-15(19)20-13)6-4-10-5-7-12(17)9-14(10)18/h1,3,5,7,9,11,13,16-18H,2,4,6,8H2/t11-,13+/m0/s1
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8.13E+3n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50435890
PNG
(CHEMBL250638)
Show SMILES O[C@@H](CCc1ccc(O)cc1)C[C@H]1CC=CC(=O)O1 |c:15|
Show InChI InChI=1S/C15H18O4/c16-12-7-4-11(5-8-12)6-9-13(17)10-14-2-1-3-15(18)19-14/h1,3-5,7-8,13-14,16-17H,2,6,9-10H2/t13-,14+/m0/s1
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9.27E+3n/an/an/an/an/an/an/an/a



Superacid Group in Organic Synthesis Team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 21: 3790-4 (2013)


Article DOI: 10.1016/j.bmc.2013.04.041
BindingDB Entry DOI: 10.7270/Q2RV0Q33
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%