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BDBM50349854 CHEMBL1813216

SMILES: NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1

InChI Key: InChIKey=HFBINSKUIZHKGC-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50349854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50349854
PNG
(CHEMBL1813216)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1
Show InChI InChI=1S/C19H19ClN6O6S/c20-17-24-18(22-9-10-1-4-12(5-2-10)33(21,31)32)26-19(25-17)23-13(16(29)30)7-11-3-6-14(27)15(28)8-11/h1-6,8,13,27-28H,7,9H2,(H,29,30)(H2,21,31,32)(H2,22,23,24,25,26)
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72n/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 12


(Homo sapiens (Human))
BDBM50349854
PNG
(CHEMBL1813216)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1
Show InChI InChI=1S/C19H19ClN6O6S/c20-17-24-18(22-9-10-1-4-12(5-2-10)33(21,31)32)26-19(25-17)23-13(16(29)30)7-11-3-6-14(27)15(28)8-11/h1-6,8,13,27-28H,7,9H2,(H,29,30)(H2,21,31,32)(H2,22,23,24,25,26)
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80n/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 9


(Homo sapiens (Human))
BDBM50349854
PNG
(CHEMBL1813216)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1
Show InChI InChI=1S/C19H19ClN6O6S/c20-17-24-18(22-9-10-1-4-12(5-2-10)33(21,31)32)26-19(25-17)23-13(16(29)30)7-11-3-6-14(27)15(28)8-11/h1-6,8,13,27-28H,7,9H2,(H,29,30)(H2,21,31,32)(H2,22,23,24,25,26)
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95n/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 2


(Homo sapiens (Human))
BDBM50349854
PNG
(CHEMBL1813216)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1
Show InChI InChI=1S/C19H19ClN6O6S/c20-17-24-18(22-9-10-1-4-12(5-2-10)33(21,31)32)26-19(25-17)23-13(16(29)30)7-11-3-6-14(27)15(28)8-11/h1-6,8,13,27-28H,7,9H2,(H,29,30)(H2,21,31,32)(H2,22,23,24,25,26)
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475n/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 1


(Homo sapiens (Human))
BDBM50349854
PNG
(CHEMBL1813216)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1
Show InChI InChI=1S/C19H19ClN6O6S/c20-17-24-18(22-9-10-1-4-12(5-2-10)33(21,31)32)26-19(25-17)23-13(16(29)30)7-11-3-6-14(27)15(28)8-11/h1-6,8,13,27-28H,7,9H2,(H,29,30)(H2,21,31,32)(H2,22,23,24,25,26)
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3.02E+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