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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50428618   
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 12


(Homo sapiens (Human))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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11n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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17n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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342n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428618
PNG
(CHEMBL2331756)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)
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6.66E+3n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair