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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50101343'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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PubMed
85n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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PC cid
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UniChem
Article
n/an/an/a 330n/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/a 310n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/an/an/a 3.61E+7n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/an/a 0.120n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)