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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM50503792'   
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 14


(Homo sapiens (Human))
BDBM50503792
PNG
(CHEMBL4593434)
Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 910n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...


Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50503792
PNG
(CHEMBL4593434)
Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0640n/an/an/an/an/a



Kaunas University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...


Bioorg Med Chem 27: 322-337 (2019)


Article DOI: 10.1016/j.bmc.2018.12.011
BindingDB Entry DOI: 10.7270/Q25M68ZH
More data for this
Ligand-Target Pair