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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 = 'BDBM26191'   
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))
BDBM26191
PNG
(2,5-difluorophenol | phenol derivative, 5)
Show SMILES Oc1cc(F)ccc1F
Show InChI InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
PDB
MMDB

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MCE
PC cid
PC sid
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Patents

Article
PubMed
8.70E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26191
PNG
(2,5-difluorophenol | phenol derivative, 5)
Show SMILES Oc1cc(F)ccc1F
Show InChI InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.70E+5 -17.5n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 16: 7424-8 (2008)


Article DOI: 10.1016/j.bmc.2008.06.013
BindingDB Entry DOI: 10.7270/Q2X065C8
More data for this
Ligand-Target Pair