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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50175007'   
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))
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Bos taurus)
BDBM50175007
PNG
(CHEMBL371870 | phenyldifluoromethanesulfonamide)
Show SMILES NS(=O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2NO2S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2


J Med Chem 61: 5822-5880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T
More data for this
Ligand-Target Pair