Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288910'
TargetCarbonic anhydrase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50288910(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
Affinity DataKd:  96nMAssay Description:Dissociation constant against human carbonic anhydrase II at 37 degree centigradeMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCarbonic anhydrase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50288910(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
Affinity DataKon:  0.0840M-1s-1Assay Description:Kinetic constant for binding human carbonic anhydrase IIMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCarbonic anhydrase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50288910(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
Affinity DataKd:  99nMAssay Description:Kinetic constant for binding human carbonic anhydrase IIMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCarbonic anhydrase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50288910(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
Affinity DataKoff:  8.50E+5s-1Assay Description:Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)More data for this Ligand-Target Pair
In DepthDetails Article