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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM16669'   
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))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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MMDB

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PubMed
2n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human Carbonic anhydrase II


J Med Chem 45: 312-20 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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Article
PubMed
15n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
PDB
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair