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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 = 'BDBM16648'   
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))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
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MMDB

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Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16648
PNG
(4-n-Pentanamido-benzenesulfonamide | CHEMBL283097 ...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-11(14)13-9-5-7-10(8-6-9)17(12,15)16/h5-8H,2-4H2,1H3,(H,13,14)(H2,12,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/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
3D
3D Structure (docked)