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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50527094   
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))
BDBM50527094
PNG
(CHEMBL4577572)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cl)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H12Cl2N4O3S/c15-9-1-3-11(4-2-9)19-20-13(16)14(21)18-10-5-7-12(8-6-10)24(17,22)23/h1-8,19H,(H,18,21)(H2,17,22,23)/b20-13-
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3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...


J Med Chem 63: 3317-3326 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02090
BindingDB Entry DOI: 10.7270/Q25Q50JG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50527094
PNG
(CHEMBL4577572)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cl)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H12Cl2N4O3S/c15-9-1-3-11(4-2-9)19-20-13(16)14(21)18-10-5-7-12(8-6-10)24(17,22)23/h1-8,19H,(H,18,21)(H2,17,22,23)/b20-13-
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6.10n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...


J Med Chem 63: 3317-3326 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02090
BindingDB Entry DOI: 10.7270/Q25Q50JG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50527094
PNG
(CHEMBL4577572)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cl)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H12Cl2N4O3S/c15-9-1-3-11(4-2-9)19-20-13(16)14(21)18-10-5-7-12(8-6-10)24(17,22)23/h1-8,19H,(H,18,21)(H2,17,22,23)/b20-13-
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44n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...


J Med Chem 63: 3317-3326 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02090
BindingDB Entry DOI: 10.7270/Q25Q50JG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50527094
PNG
(CHEMBL4577572)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cl)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H12Cl2N4O3S/c15-9-1-3-11(4-2-9)19-20-13(16)14(21)18-10-5-7-12(8-6-10)24(17,22)23/h1-8,19H,(H,18,21)(H2,17,22,23)/b20-13-
PDB
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907n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...


J Med Chem 63: 3317-3326 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02090
BindingDB Entry DOI: 10.7270/Q25Q50JG
More data for this
Ligand-Target Pair