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Compile Data Set for Download or QSAR

Found 13 hits of ki for monomerid = 50426824   
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 2


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de Rosario

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay


Bioorg Med Chem Lett 23: 740-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
BindingDB Entry DOI: 10.7270/Q2D21ZZJ
More data for this
Ligand-Target Pair