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SMILES: C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1

InChI Key: InChIKey=AZIZDXJGHAGKNH-UHFFFAOYSA-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 4 hits for monomerid = 50426700   
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 12


(Homo sapiens (Human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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9n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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60n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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6.00E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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7.20E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair