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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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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PubMed
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair