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SMILES: Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O

InChI Key: InChIKey=USLQTADLNDRKAV-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 6 hits for monomerid = 50469138   
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 9


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
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7n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
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15n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
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57n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 5a incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
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80n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
PDB
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217n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50469138
PNG
(CHEMBL4279797)
Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)
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700n/an/an/an/an/an/an/an/a



Department of University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 5b incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Eur J Med Chem 157: 1214-1222 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.096
BindingDB Entry DOI: 10.7270/Q2RR21ZR
More data for this
Ligand-Target Pair