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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50349852   
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 9


(Homo sapiens (Human))
BDBM50349852
PNG
(CHEMBL1813212)
Show SMILES CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H26ClN5O4SSi/c1-17(2,3)29(4,5)27-11-10-26-16-22-14(18)21-15(23-16)20-12-6-8-13(9-7-12)28(19,24)25/h6-9H,10-11H2,1-5H3,(H2,19,24,25)(H,20,21,22,23)
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113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349852
PNG
(CHEMBL1813212)
Show SMILES CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H26ClN5O4SSi/c1-17(2,3)29(4,5)27-11-10-26-16-22-14(18)21-15(23-16)20-12-6-8-13(9-7-12)28(19,24)25/h6-9H,10-11H2,1-5H3,(H2,19,24,25)(H,20,21,22,23)
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248n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349852
PNG
(CHEMBL1813212)
Show SMILES CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H26ClN5O4SSi/c1-17(2,3)29(4,5)27-11-10-26-16-22-14(18)21-15(23-16)20-12-6-8-13(9-7-12)28(19,24)25/h6-9H,10-11H2,1-5H3,(H2,19,24,25)(H,20,21,22,23)
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356n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50349852
PNG
(CHEMBL1813212)
Show SMILES CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H26ClN5O4SSi/c1-17(2,3)29(4,5)27-11-10-26-16-22-14(18)21-15(23-16)20-12-6-8-13(9-7-12)28(19,24)25/h6-9H,10-11H2,1-5H3,(H2,19,24,25)(H,20,21,22,23)
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583n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349852
PNG
(CHEMBL1813212)
Show SMILES CC(C)(C)[Si](C)(C)OCCOc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H26ClN5O4SSi/c1-17(2,3)29(4,5)27-11-10-26-16-22-14(18)21-15(23-16)20-12-6-8-13(9-7-12)28(19,24)25/h6-9H,10-11H2,1-5H3,(H2,19,24,25)(H,20,21,22,23)
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3.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair