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BDBM50263373 2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl-phenyl)-acetamide::2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide::CHEMBL477822

SMILES: COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1

InChI Key: InChIKey=VZBSCWDKCMOJCR-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50263373   
Target
(Institution)
LigandTarget
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))
BDBM50263373
PNG
(2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...)
Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
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Article
PubMed
9n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 18: 4873-8 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50263373
PNG
(2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...)
Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
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Article
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63n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 18: 4873-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50263373
PNG
(2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...)
Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
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73n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 18: 4873-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50263373
PNG
(2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...)
Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
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Article
PubMed
87n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 18: 4873-8 (2010)

More data for this
Ligand-Target Pair