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SMILES: NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1

InChI Key: InChIKey=KAYOZHWGXYWOBM-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 5 hits for monomerid = 50133398   
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 14


(Homo sapiens (Human))
BDBM50133398
PNG
(CHEMBL3632834)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
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16n/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 1


(Homo sapiens (Human))
BDBM50133398
PNG
(CHEMBL3632834)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
PDB
MMDB

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75n/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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50133398
PNG
(CHEMBL3632834)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
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77n/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 2


(Homo sapiens (Human))
BDBM50133398
PNG
(CHEMBL3632834)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
PDB
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PubMed
454n/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))
BDBM50133398
PNG
(CHEMBL3632834)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO2S/c20-23(21,22)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PubMed
519n/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