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BDBM50133402 CHEMBL3632838

SMILES: NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=FRYYMRSAZOXGSS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50133402   
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 XIV


(Homo sapiens (Human))
BDBM50133402
PNG
(CHEMBL3632838)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
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PC sid
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0.930n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50133402
PNG
(CHEMBL3632838)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
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4.80n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50133402
PNG
(CHEMBL3632838)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
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8.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50133402
PNG
(CHEMBL3632838)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
PDB
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46n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50133402
PNG
(CHEMBL3632838)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
PubMed
263n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair