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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 = 'BDBM50415857'   
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))
BDBM50415857
PNG
(CHEMBL205440)
Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)
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PC cid
PC sid
UniChem
Article
PubMed
0.0140n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415857
PNG
(CHEMBL205440)
Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.37E+7n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair