BDBM50330332 CHEMBL1276022::Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)malonate

SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6]

InChI Key InChIKey=VWHBZYVGQFEVNV-UHFFFAOYSA-N

Data  2 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50330332   

TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataKi:  50nMAssay Description:Inhibition of human carbonic anhydrase 2 by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataIC50: 60nMAssay Description:Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataIC50: 130nMAssay Description:Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataIC50: 140nMAssay Description:Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataKi:  270nMAssay Description:Inhibition of human carbonic anhydrase 1 by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Dumlupinar University

Curated by ChEMBL
LigandPNGBDBM50330332(Diethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed