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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288878'   
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))
BDBM50288878
PNG
(3-(4-Chloro-phenyl)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H2,18,23,24)
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PC cid
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Article
n/an/an/a 14n/an/an/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288878
PNG
(3-(4-Chloro-phenyl)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H2,18,23,24)
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UniChem
Article
n/an/an/an/an/an/a 0.0160n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288878
PNG
(3-(4-Chloro-phenyl)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H2,18,23,24)
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Article
n/an/an/an/an/a 0.0220n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288878
PNG
(3-(4-Chloro-phenyl)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H2,18,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/a 15n/an/an/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