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BDBM50167417 4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesulfonamide::4-{[1-(4-Oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-amino}-benzenesulfonamide::CHEMBL196608

SMILES: NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O

InChI Key: InChIKey=LBZYOUNTVVPASW-GIJQJNRQSA-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 = 50167417   
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 2


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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PubMed
28n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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37n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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39n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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100n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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2.80E+10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration


Eur J Med Chem 44: 3439-44 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.016
BindingDB Entry DOI: 10.7270/Q26W9DWG
More data for this
Ligand-Target Pair