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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5A, mitochondrial' and Ligand = 'BDBM50454292'   
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 5A, mitochondrial


(Homo sapiens (Human))
BDBM50454292
PNG
(CHEMBL4208414)
Show SMILES CCc1nccn1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14ClN3O3S/c1-2-13-16-5-6-17(13)8-11(18)9-3-4-10(14)12(7-9)21(15,19)20/h3-7H,2,8H2,1H3,(H2,15,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 454n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...


Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50454292
PNG
(CHEMBL4208414)
Show SMILES CCc1nccn1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14ClN3O3S/c1-2-13-16-5-6-17(13)8-11(18)9-3-4-10(14)12(7-9)21(15,19)20/h3-7H,2,8H2,1H3,(H2,15,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.70n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...


Bioorg Med Chem 26: 675-687 (2018)


Article DOI: 10.1016/j.bmc.2017.12.035
BindingDB Entry DOI: 10.7270/Q2H997S0
More data for this
Ligand-Target Pair