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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=WSACTURKHQODAF-BZNQNGANSA-N

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 = 50366056   
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 14


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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112n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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525n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366056
PNG
(CHEMBL1956762)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N4O8S2/c15-28(24,25)7-3-1-6(2-4-7)12(23)17-18-14(27)16-13-11(22)10(21)9(20)8(5-19)26-13/h1-4,8-11,13,19-22H,5H2,(H,17,23)(H2,15,24,25)(H2,16,18,27)/t8-,9-,10+,11-,13-/m1/s1
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PubMed
7.88E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair