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BDBM50428835 CHEMBL2337533

SMILES: NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1

InChI Key: InChIKey=KVHOSNWOURHMFC-DUEVJXGLSA-N

Data: 4 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 4 hits for monomerid = 50428835   
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))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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2.40n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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4.90n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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19n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
PDB
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31n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair