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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=ANSQGLIVAPZOKH-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 = 50507820   
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 7


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
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0.630n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow a...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
PDB
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9.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
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54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50507820
PNG
(CHEMBL4593188)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
PDB
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NCI pathway
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-1 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair