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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 = 'BDBM50022271'   
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))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
PDB
MMDB

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MCE
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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 9.50E+5n/an/an/an/a10.0n/a



Balikesir University



Assay Description
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...


J Enzyme Inhib Med Chem 27: 37-42 (2012)


Article DOI: 10.3109/14756366.2011.574130
BindingDB Entry DOI: 10.7270/Q2N878P6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.85E+6n/an/an/an/a10.0n/a



Balikesir University



Assay Description
CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 h...


J Enzyme Inhib Med Chem 27: 37-42 (2012)


Article DOI: 10.3109/14756366.2011.574130
BindingDB Entry DOI: 10.7270/Q2N878P6
More data for this
Ligand-Target Pair